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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2017,Vol.33>> Issue(3)>> 548-553     doi: 10.3866/PKU.WHXB201612081         中文摘要
Structure and Electronic Properties of Single Walled Nanotubes from AlAs(111) Sheets: A DFT Study
WANG Wei, TAN Kai
Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian Province, P. R. China
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A series of AlAs nanotubes (NTs) can be formed by rolling up two dimensional periodic (111) single layer sheets, namely (n,0) and (n,m) nanotubes. Optimized parameters of the atomic arrangement, energy levels and electronic structure of corresponding nanotubes of different types were calculated and compared by the density functional theory (DFT) method. The calculated results showed that strain energies (Es) are negative over most of the diameter range for the (n,0) and (n,m) series, indicating that these NTs are more stable than a planar AlAs(111) single layer. The strain energy gradually decreases with increasing diameter. The calculated electronic band structures and density of states profiles reveal that the indirect band gaps (Eg) of armchair AlAs nanotubes gradually decreases with increasing diameter, which is distinct behavior from the zigzag nanotubes. The zigzag AlAs nanotubes feature a direct Eg with a peak value (2.11 eV) for a tube of radius 1.87 nm. The origin of the differences in band gaps could be attributed to the p-p coupling interaction between Al 3p orbitals in the conduction band of the AlAs zigzag nanotube.



Keywords: Density functional theory   AlAs   Zigzag   Armchair   Nanotube  
Received: 2016-09-12 Accepted: 2016-12-08 Publication Date (Web): 2016-12-08
Corresponding Authors: TAN Kai Email: ktan@xmu.edu.cn

Fund: The project was supported by the National Natural Science Foundation of China (21573182)

Cite this article: WANG Wei, TAN Kai. Structure and Electronic Properties of Single Walled Nanotubes from AlAs(111) Sheets: A DFT Study[J]. Acta Phys. -Chim. Sin., 2017,33 (3): 548-553.    doi: 10.3866/PKU.WHXB201612081

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75. YE Huang-Qing, DENG Yong-Hong, YAN Yan, ZHANG Mei-Jie, QIAN Yong, QIU Xue-Qing.Influence of Soldium Lignosulfonate with Different Molecular Weights on the Dispersion of Multiwalled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2015,31(10): 1991-1996
76. GAN Zuo-Hua, CHEN Shu-Xuan, TAN Kai.Alternative Formation Mechanismof C50Cl10 Fullerene Chloride Based on Density Functional Theory Calculations[J]. Acta Phys. -Chim. Sin., 2015,31(1): 51-55
77. YIN Hai-Feng, XIANG Gong-Zhou, YUE Li, ZHANG Hong.Plasmon Excitation in Silicene Quantum Dots[J]. Acta Phys. -Chim. Sin., 2015,31(1): 67-72
78. LIU Fen, ZOU Jian-Wei, HU Gui-Xiang, JIANG Yong-Jun.Quantitative Structure-Property Relationship Studies on the Adsorption of Aromatic Contaminants by Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2014,30(9): 1616-1624
79. YANG Peng, TAN Fu-Rui, ZHANG Jing, JIN He-Hua, LI Hong-Bo, LIU Chun-Hua, LI Qing-Wen.Effects of Pore-Size Range and Composition of Polysaccharide Gels on Flow Behaviors and Selective Sorting of Single-Walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2014,30(9): 1764-1770
80. ZHANG Jian-Fang, WANG Yan, SHEN Tian-Kuo, SHU Xia, CUI Jie-Wu, CHEN Zhong, WU Yu-Cheng.Visible Light Photocatalytic Performance of Cu2O/TiO2 Nanotube Heterojunction Composites Prepared by Pulse Deposition[J]. Acta Phys. -Chim. Sin., 2014,30(8): 1535-1542
81. WANG Fang-Fang, CAO Zhan-Min, CHEN Jun, XING Xian-Ran.Effects of A-Site Substitutions on Negative Thermal Expansion in PbTiO3 fromFirst-Principles Calculations[J]. Acta Phys. -Chim. Sin., 2014,30(8): 1432-1436
82. CAO Xiao-Xiao, SU Yan, ZHAO Ji-Jun, LIU Chang-Ling, ZHOU Pan-Wang.Stability and Raman Spectroscopy of Alkane Guest Molecules (CnHm, n≤6, m≤14) in 51262 and 51264 Water Cavities by Density Functional Theory Calculations[J]. Acta Phys. -Chim. Sin., 2014,30(8): 1437-1446
83. XIAO Xue-Chun, SHI Wei, NI Zhe-Ming.Selective Hydrogenation Mechanism of Cinnamaldehyde on Au(111) Surface[J]. Acta Phys. -Chim. Sin., 2014,30(8): 1456-1464
84. HOU Na, LI Ying, WU Di, LI Zhi-Ru.Structures and Nonlinear Optical Properties of Alkali Metal-Doped t-Bu-calix[4]arene Molecules[J]. Acta Phys. -Chim. Sin., 2014,30(7): 1223-1229
85. ZHAO Qing-Liang, LIU Yang, WEI Nan, WANG Sheng.Photoelectric Characteristics of Self-Assembled Semiconducting Carbon Nanotube Thin Films[J]. Acta Phys. -Chim. Sin., 2014,30(7): 1377-1383
86. YIN Hai-Feng, ZHANG Hong, YUE Li.Near-Infrared Plasmon Study on N-Doped Hexagonal Graphene Nanostructures[J]. Acta Phys. -Chim. Sin., 2014,30(6): 1049-1054
87. WANG Wen-Jun, ZHAO Hong-Bin, YUAN An-Bao, FANG Jian-Hui, XU Jia-Qiang.Hydrothermal Sol-Gel Method for the Synthesis of a Multiwalled Carbon Nanotube-Na3V2(PO4)3 Composite as a Novel Electrode Material for Lithium-Ion Batteries[J]. Acta Phys. -Chim. Sin., 2014,30(6): 1113-1120
88. HUANG Guo-Yong, XU Sheng-Ming, LI Lin-Yan, WANG Xue-Jun, LU Sha-Sha.Synthesis and Modification of a Lamellar Co3O4 Anode for Lithium-Ion Batteries[J]. Acta Phys. -Chim. Sin., 2014,30(6): 1121-1126
89. WANG Guan-Nan, CHEN Li-Min, GUO Yuan-Yuan, FU Ming-Li, WU Jun-Liang, HUANG Bi-Chun, YE Dai-Qi.Effect of Chromium Doping on the Catalytic Behavior of Cu/ZrO2/CNTs-NH2 for the Synthesis of Methanol from Carbon Dioxide Hydrogenation[J]. Acta Phys. -Chim. Sin., 2014,30(5): 923-931
90. LI Yan, ZOU Lu-Yi, REN Ai-Min.Charge Transport and Fluorescence Properties of a Series of Red-Emitting Materials Based on Benzothiadiazole and Silafluorene[J]. Acta Phys. -Chim. Sin., 2014,30(5): 855-865
91. WANG Juan, XIA Shu-Wei, YU Liang-Min.Adsorption Mechanism of Hydrated Pb(OH)+ on the Kaolinite (001) Surface[J]. Acta Phys. -Chim. Sin., 2014,30(5): 829-835
92. JIANG Feng, REN Qing-Hua.Reaction Mechanism for the Ni-Catalyzed Reductive Cross-Coupling of Aryl Halides[J]. Acta Phys. -Chim. Sin., 2014,30(5): 821-828
93. YAO Man-Li, DONG Yan-Yan, XIE Jing, JIA Ai-Ping, XIE Guan-Qun, HU Geng-Shen, LUO Meng-Fei.Preparation of Polyethylenimine-Functionalized Silica Nanotubes and Their Application for CO2 Adsorption[J]. Acta Phys. -Chim. Sin., 2014,30(4): 789-796
94. GAO Su-Wen, LAN Zhang, WU Wan-Xia, QUE Lan-Fang, WU Ji-Huai, LIN Jian-Ming, HUANG Miao-Liang.Fabrication and Photovoltaic Performance of High Efficiency Front-Illuminated Dye-Sensitized Solar Cell Based on Ordered TiO2 Nanotube Arrays[J]. Acta Phys. -Chim. Sin., 2014,30(3): 446-452
95. SUN Jin, LIANGWan-Zhen.Effects of External Field and Nanoribbon Length on the Electronic Structure and Properties of Graphene Nanoribbons[J]. Acta Phys. -Chim. Sin., 2014,30(3): 439-445
96. CHEN Xi-Ming, JIA Chun-Yang, WAN Zhong-Quan, YAO Xiao-Jun.Theoretical Investigations of Tetrathiafulvalene Derivative as Electron Donor in Organic Dye for Dye-Sensitized Solar Cells[J]. Acta Phys. -Chim. Sin., 2014,30(2): 273-280
97. WU Ying-Xi, WANG Hong-Yan, LIN Yue-Xia.Aqueous Solution Effects on the Proton-Transfer Processes of GC and AT Base Pairs[J]. Acta Phys. -Chim. Sin., 2014,30(2): 257-264
98. WANG Xing, QIAN Ping, SONG Kai-Hui, ZHANG Chao, SONG Wei.Theoretical Investigation of Interaction of Benzene Molecule and Si6O18H12 and Al6O24H30 Cluster Models[J]. Acta Phys. -Chim. Sin., 2014,30(2): 241-250
99. GONG Li-Zhen, XU Zhi-Guang, XU Xuan, HE Jing, WANG Qi, LIU Hai-Yang.Axial Coordination Behavior of Corrole Mn and MnVO Complexes with N-Based Ligands[J]. Acta Phys. -Chim. Sin., 2014,30(2): 265-272
100. LIU Xiao-Qiang, TIAN Zhi-Yue, CHU Wei, XUE Ying.CH4, CO2 and H2OAdsorption on Nonmetallic Atom-Decorated Graphene Surfaces[J]. Acta Phys. -Chim. Sin., 2014,30(2): 251-256
101. LUO Yun-Qing, QIU Mei, YANG Wei, ZHU Jia, LI Yi, HUANG Xin, ZHANG Yong-Fan.Configuration and Electronic Structure of W3O9 Clusters Supported on Li- and Al-Doped MgO(001) Surfaces[J]. Acta Phys. -Chim. Sin., 2014,30(12): 2224-2232
102. PENG Xuan.Molecular Simulations of the Purification of Toxic Benzene Gas on Single-Walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2014,30(11): 2000-2008
103. SU Ya-Qiong, WU De-Yin, TIAN Zhong-Qun.Density Functional Theory Calculations of the Influence of Weak Hydrogen Bonding Interactions on the Raman Spectra of Thiourea in Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2014,30(11): 1993-1999
104. XU Kun, FENG Jie, CHU Qi, ZHANG Li-Li, LI Wen-Ying.Density Functional Theory Study of Thiophene Hydrodesulfurization on γ-Mo2N(100) Surface[J]. Acta Phys. -Chim. Sin., 2014,30(11): 2063-2070
105. ZHANG Lian-Yang, SHI Wei, XIA Sheng-Jie, NI Zhe-Ming.Hydrodesulfurization Mechanisms of Thiophene Catalyzed by Au/Pd(111) Bimetallic Surfa[J]. Acta Phys. -Chim. Sin., 2014,30(10): 1847-1854
106. YANG Chao, LIU Xiao-Qing, HUANG Bi-Chun, WU You-Ming.Structural Properties and Low-Temperature SCR Activity of Zirconium-Modified MnOx/MWCNTs Catalysts[J]. Acta Phys. -Chim. Sin., 2014,30(10): 1895-1902
107. GAO Si-Min, WANG Hong-Yan, LIN Yue-Xia, WU Ying-Xi, HU Jun.Surface-Enhanced Raman Scattering Mechanism of Aflatoxin B2 Molecule Adsorbed on Silver Cluster[J]. Acta Phys. -Chim. Sin., 2014,30(10): 1916-1922
108. GU Jia-Fang, CHEN Wen-Kai.Adsorption of the Uranyl Ion on the Hydroxylated α-Quartz (101) Surface[J]. Acta Phys. -Chim. Sin., 2014,30(10): 1810-1820
109. WU Qiu-Hua, ZHAO Peng, LIU De-Sheng.First-Principles Study of the Rectifying Properties of the Alkali-Metal-Atom-Doped BDC60 Molecule[J]. Acta Phys. -Chim. Sin., 2014,30(1): 53-58
110. WANG Xiao-Xuan, HU Wei, GUI Da-Yong, CHI Xu-Hui, WANG Ming-Liang, TIAN De-Yu, LIU Jian-Hong, MA Xin-Gang, PANG Ai-Min.Proton Transfer in Reaction between 2,4-Diisocyanatotoluene and Amine Compounds[J]. Acta Phys. -Chim. Sin., 2014,30(1): 34-42
111. XING Wei-Nan, NI Liang, YAN Xue-Sheng, LIU Xin-Lin, LUO Ying-Ying, LU Zi-Yang, YAN Yong-Sheng, HUO Peng-Wei.Preparation of C@CdS/Halloysite Nanotube Composite Photocatalyst Using One-Step Pyrolytic Method and Its Photodegradation Properties[J]. Acta Phys. -Chim. Sin., 2014,30(1): 141-149
112. YU Hai-Ling, ZHANG Meng-Ying, HONG Bo, CHENG Zhi Qiang, WANG Jiao, TIAN Dong-Mei, QIU Yong-Qing.Nonlinear Optical Properties of Green Fluorescent Protein Chromophore Coupled Diradicals[J]. Acta Phys. -Chim. Sin., 2013,29(12): 2543-2550
113. WU Ren-Zhen, FANG Zhen-Xing, LIU Ping, CAO Quan-Zhen, QIU Mei, LI Yi, CHEN Wen-Kai, HUANG Xin, ZHANG Yong-Fan.Electronic Structures and Optical Properties of Organic DAST and DSTMS Crystal Materials[J]. Acta Phys. -Chim. Sin., 2013,29(12): 2534-2542
114. ZENG Xiu-Lin, HUANG Shan-Qi-Song, JU Xue-Hai.Density Functional Theory Study of the Gas-Phase Reaction of U+ with CO2[J]. Acta Phys. -Chim. Sin., 2013,29(11): 2308-2312
115. HU Yan, FANG Qiu-Yan, ZHOU Jian-Zhang, ZHAN Dong-Ping, SHI Kang, TIAN Zhong-Qun, TIAN Zhao-Wu.Factors Influencing Hydroxyl Radical Formation in a Photo-Induced Confined Etching System[J]. Acta Phys. -Chim. Sin., 2013,29(11): 2392-2398
116. ZHANG Qi, YU Hai-Zhu, SHI Jing.Orbital Interactions in Native Chemical Ligation Reaction of Proline Thioesters[J]. Acta Phys. -Chim. Sin., 2013,29(11): 2321-2331
117. ZHANG Tian-Lei, WANG Wei-Na, LIU Chang, LU Na, CHEN Miao, GUO Sha, WANG Wen-Liang.Computational Study of the Reaction Mechanism and Kinetics of CH3CHC(CH3)COOCH3 Ozonolysis[J]. Acta Phys. -Chim. Sin., 2013,29(11): 2313-2320
118. LING Huan-Huan, LI Nan, YANG Fan, JI Xin, XIA Yong, CAO Du, QI Zheng-Jian.Photoelectric Properties of Novel Substituted 2-Phenyl-1H-imidazole[4,5-f][1,10]phenanthrene Ruthenium(II) Complexes[J]. Acta Phys. -Chim. Sin., 2013,29(11): 2465-2474
119. TANG Fa-Wei, GUO Wei-Min, TANG Nan-Nan, PEI Jun-Yan, XU Xuan.Quantum Chemical Study on the Adsorption of Formic on a Pt-Sn(111)/CAlloy Surface[J]. Acta Phys. -Chim. Sin., 2013,29(10): 2198-2206
120. WEI Jing, CHENG Wen-Dan.Nonlinear Optical Properties:Second Harmonic Generation for Aromatic Amino Acids[J]. Acta Phys. -Chim. Sin., 2013,29(10): 2215-2220
121. WANG You-Juan, ZHAO Dong-Bo, RONG Chun-Ying, LIU Shu-Bin.Towards Understanding the Origin and Nature of the Conformational Stability of Water Clusters:a Density Functional Theory and Quantum Molecular Dynamics Study[J]. Acta Phys. -Chim. Sin., 2013,29(10): 2173-2179
122. ZHAO Wei-Rong, XI Hai-Ping, LIAO Qiu-Wen.Cu-Doped Titania Nanotubes for Visible-Light Photocatalytic Mineralization of Toluene[J]. Acta Phys. -Chim. Sin., 2013,29(10): 2232-2238
123. LI Jia, XU Wen-Li, HU Jing, LING Min, YAO Jian-Hua.Hydrolysis Reaction Mechanismof 2, 4-Dichlorophenoxy Acetic Acid Metabolism[J]. Acta Phys. -Chim. Sin., 2013,29(09): 1923-1930
124. GAO Zi-Feng, CHEN Hao, QI Sui-Tao, YI Chun-Hai, YANG Bo-Lun.Study of Hydrogen Adsorption on Pt and Pt-Based Bimetallic Surfaces by Density Functional Theory[J]. Acta Phys. -Chim. Sin., 2013,29(09): 1900-1906
125. FAN Xiao-Li, RAN Run-Xin, ZHANG Chao, YANG Yong-Liang.Density Functional Theory Study on the Adsorption of Dodecylthiol on Au(111) Surface[J]. Acta Phys. -Chim. Sin., 2013,29(09): 1907-1915
126. NI Zhe-Ming, XIA Ming-Yu, SHI Wei, QIAN Ping-Ping.Adsorption and Decarbonylation Reaction of Furfural on Pt(111) Surface[J]. Acta Phys. -Chim. Sin., 2013,29(09): 1916-1922
127. GE Zhen-Peng, SHI Yan-Chao, LI Xiao-Yi.Effects of Orthogonal Electric Field on Water Flux through a Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2013,29(08): 1655-1660
128. TAO Sha, YU Li-Juan, WU De-Yin, TIAN Zhong-Qun.Raman Spectra of Amino Wagging Vibrational Modes in p-π-Conjugated Molecules[J]. Acta Phys. -Chim. Sin., 2013,29(08): 1609-1617
129. YANG Da-Wei, CHEN Chao, XIE Qing-Ji, YAO Shou-Zhuo.Comparison of Enzymatic Activities and Electroactivities of Adsorbed Glucose Oxidase on Several Nanomaterial-Modified Electrodes[J]. Acta Phys. -Chim. Sin., 2013,29(08): 1727-1734
130. SUN Chao, YAN Liu-Ming, YUE Bao-Hua.Improvement of Surface Structure and Enhancement of Conductivity of LiFePO4 Surface by Graphene and Graphene-Like B-C-N Coating[J]. Acta Phys. -Chim. Sin., 2013,29(08): 1666-1672
131. ZHOU Dan-Hong, LI Miao-Miao, CUI Li-Li.Photophysical Properties and Photoinduced Electron Transfer Mechanism in a Near-IR Fluorescent Probe for Monitoring Peroxynitrite[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1453-1460
132. LI Ling-Ling, Janik J. Michael, NIE Xiao-Wa, SONG Chun-Shan, GUO Xin-Wen.Reaction Mechanism of Toluene Methylation with Dimethyl Carbonate or Methanol Catalyzed by H-ZSM-5[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1467-1478
133. NIE Jing, LU Zhang-Hui, YAO Jun, GUI Tian, CHEN Xiang-Shu.Structural, Electronic and Magnetic Properties of TinO2 and TinO2- (n=1-10) Clusters[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1433-1440
134. SUN Xiao-Ran, LI Guang-Yue, XIA Ding-Guo, ZHANG Li-Mei, LI Fan.Oxygen-Reduction Reaction of Pyromellitimide-Bridged Polyphthalocyanine Fe(II)[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1461-1466
135. ZHOU Yang, LIU Wei-Ming, HU Xian-Chao, CHU You-Qun, MA Chun-An.Nano-WO3 Composite Materials as Electro-Catalyst for Methanol Oxidation[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1487-1493
136. HUANG Yan, HUANG Xiao, XU Xuan.Effects of Electric Field on the Structures of Metal String Complexes M3(dpa)4Cl2 (M=Co, Rh, Ir; dpa=dipyridylamide)[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1225-1232
137. YANG Han-Pei, ZHANG Ying-Chao, FU Xiao-Fei, SONG Shuang-Shuang, WU Jun-Ming.Surface Modification of CNTs and Improved Photocatalytic Activity of TiO2-CNTs Heterojunction[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1327-1335
138. LIN Yue-Xia, WANG Hong-Yan, GAO Si-Min, WU Ying-Xi, LI Ru-Hu.Double-Proton-Transfer Reaction in Guanine-Cytosine Base Pair Embedded in B-Form DNA[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1233-1239
139. LI Ming-Juan, LIU Ming-Xia, ZHENG Xu-Ming.A-Band Structural Dynamics of 1-Methylthymine[J]. Acta Phys. -Chim. Sin., 2013,29(05): 903-910
140. ZHOU He-Gen, WEN Xing-Wei, FANG Zhen-Xing, Li Yi, DING Kai-Ning, HUANG Xin, ZHANG Yong-Fan.Electronic Structures and Optical Properties of AgGa(S1-xSex)2 Solid Solutions[J]. Acta Phys. -Chim. Sin., 2013,29(05): 920-928
141. LI Lu, LI Yi, GUO Xin, ZHANG Yong-Fan, CHEN Wen-Kai.Adsorption and Dissociation of Water on HfO2(111) and (110) Surfaces[J]. Acta Phys. -Chim. Sin., 2013,29(05): 937-945
142. CUI Ying, KUANG Yin-Jie, ZHANG Xiao-Hua, LIU Bo, CHEN Jin-Hua.Spontaneous Deposition of Pt Nanoparticles on Poly(diallyldimethylammonium chloride)/Carbon Nanotube Hybrids and Their Electrocatalytic Oxidation of Methanol[J]. Acta Phys. -Chim. Sin., 2013,29(05): 989-995
143. WANG Chen, WEI Zi-Zhang, LÜ Yong-Kang, XING Bin, WANG Gui-Chang.Theoretical Investigation of Structure-Sensitivity of Styrene Epoxidation on Ag(111) and Ag(110) Surfaces[J]. Acta Phys. -Chim. Sin., 2013,29(04): 723-730
144. LI Ling-Ling, NIE Xiao-Wa, SONG Chun-Shan, GUO Xin-WenP.Isomerization Mechanismof Xylene Catalyzed by H-ZSM-5 Molecular Sieve[J]. Acta Phys. -Chim. Sin., 2013,29(04): 754-762
145. CUI Li-Li, ZHOU Dan-Hong, LI Miao-Miao.Photophysical Properties of a Red-Shift Cu(II) Ratiometric Fluorescent Chemosensor[J]. Acta Phys. -Chim. Sin., 2013,29(04): 745-753
146. HU Jun, SHI Wei, NI Zhe-Ming, LIU Jiao, XUE Ji-Long.Influence of Interlayer Anion on Supermolecular Interaction in Quaternary Hydrotalcites[J]. Acta Phys. -Chim. Sin., 2013,29(03): 491-497
147. XU Gui-Yin, DING Bing, NIE Ping, LUO Hong-Jun, ZHANG Xiao-Gang.Preparation and Electrochemical Performance of Carbon Nanotubes/ Graphene Oxide/Sulfur Complex Cathode Material[J]. Acta Phys. -Chim. Sin., 2013,29(03): 546-552
148. WANG Qing-Gao, SHANG Jia-Xiang.Effects of O Coverage on the Dissociation of O2 Molecules on the Nb(110) Surface[J]. Acta Phys. -Chim. Sin., 2013,29(02): 365-370
149. ZHAN Wei-Shen, LI Rui, PAN Shi, GUO Ying-Nan, ZHANG Yi.Extension of Conjugate π Bridge in Dye Molecules for Dye-Sensitized Solar Cells[J]. Acta Phys. -Chim. Sin., 2013,29(02): 255-262
150. FAN Xiao-Li, LIU Yan, DU Xiu-Juan, LIU Chong, ZHANG Chao.Dissociative Adsorption of Methanethiol on Cu(111) Surface: a Density Functional Theory Study[J]. Acta Phys. -Chim. Sin., 2013,29(02): 263-270
151. ZHOU Yang, CHU You-Qun, LIU Wei-Ming, MA Chun-An.Nano-WO3 Modified Carbon Nanotube Supported Pt and Their Electrocatalytic Activity for Methanol Electro-Oxidation[J]. Acta Phys. -Chim. Sin., 2013,29(02): 287-292
152. LIU Rui Teng Bo-Tao, QUAN Jie-Li, LANG Jia-Jian, Luo Meng-Fei.A Density Functional Theory Study of HF Adsorption on the α-AlF3(0001) Surface[J]. Acta Phys. -Chim. Sin., 2013,29(02): 271-278
153. QIU Yi-Xiang, WAN Ming-Da, CHEN Xian-Yang, WANG Shu-Guang.Reaction Mechanisms of Ethylene Hydrogenation Catalyzed by Gold(I) Complexes[J]. Acta Phys. -Chim. Sin., 2013,29(02): 279-286
154. LI Li-Xiang, TAO Jing, GENG Xin, AN Bai-Gang.Preparation and Supercapacitor Performance of Nitrogen-Doped Carbon Nanotubes from Polyaniline Modification[J]. Acta Phys. -Chim. Sin., 2013,29(01): 111-116
155. ZHAO Dong-Bo, RONG Chun-Ying, JENKINS Samantha, KIRK Steven R., YIN Du-Lin, LIU Shu-Bin.Origin of the cis-Effect: a Density Functional Theory Study of Doubly Substituted Ethylenes[J]. Acta Phys. -Chim. Sin., 2013,29(01): 43-54
156. WANG Yan, ZENG Xiao-Lan.1,2- and 1,4-Addition Reactions between Silabenzenes and HX (X=F, OH, NH2)[J]. Acta Phys. -Chim. Sin., 2012,28(12): 2831-2838
157. LUO Wen-Li, SU Ya-Qiong, TIAN Xiang-Dong, ZHAO Liu-Bin, WU De-Yin, TIAN Zhong-Qun.Reaction of p-Chloronitrobenzene Adsorbed on Silver Nanoparticles[J]. Acta Phys. -Chim. Sin., 2012,28(12): 2767-2773
158. SONG Hong-Juan, ZHANG Meng-Ying, SUN Xiu-Xin, SUN Shi-Ling QIU Yong-Qing.Nonlinear Optical Properties of a Series of 6,12-Diethynylindeno[1,2-b]fluorene Derivatives[J]. Acta Phys. -Chim. Sin., 2012,28(12): 2839-2844
159. LIU Shu-Juan, MA Ting-Chun, XU Wen-Juan, LIU Xiang-Mei, ZHAO Qiang, HUANG Yan-Qin, HUANG Wei.Optoelectronic Properties for Main Group Element-Bridged Ladder Compounds[J]. Acta Phys. -Chim. Sin., 2012,28(11): 2597-2604
160. LI Hong-Bo, ZHANG Jing, JIN He-Hua, LI Qing-Wen.Separation Techniques of Single-Walled Carbon Nanotubes with Single Electrical Type and Chirality[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2447-2455
161. HUANG Wen, ZHAO Jin, KANG Qi, XU Kaichen, YU Zhen, WANG Jian, MA Yan-Wen, HUANG Wei.Preparation of Three-Dimensional Carbon Microtube/Carbon Nanotube Composites and Their Application in Supercapacitor[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2269-2275
162. JIAO Shu-Hong, XU Dong-Sheng, XU Li-Fen, ZHANG Xiao-Guang.Recent Progress in Electrochemical Synthesis and Morphological Control of Metal Oxide Nanostructures[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2436-2446
163. GAO Si-Min, WANG Hong-Yan, LIN Yue-Xia, LI Ru-Hu.Surface-Enhanced Raman Spectra of Aflatoxin B1 Adsorbed on Silver Clusters[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2044-2050
164. NI Zhe-Ming, LI Yuan, SHI Wei, XUE Ji-Long, LIU Jiao.Supramolecular Structure, Electronic Property and Stability of Ni-Mg-Al Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2051-2056
165. AN Ting, CAO Hui-Qun, ZHAO Feng-Qi, REN Xiao-Ning, TIAN De-Yu, XU Si-Yu, GAO Hong-Xu, TAN Yi, XIAO Li-Bai.Preparation and Characterization of Ag/CNTs Nanocomposite and Its Effect on Thermal Decomposition of Cyclotrimethylene Trinitramine[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2202-2208
166. DAI Gao-Peng, LIU Su-Qin, PENG Rong, LUO Tian-Xiong.Fabrication of Bi2O3/Bi2O3 Nanotube Arrays with High Visible-Light Photocatalytic Activity by Impregnation-Decomposition Method[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2169-2174
167. LUO Hong-Cheng, HUANG Bi-Chun, FU Ming-Li, WU Jun-Liang, YE Dai-Qi.SO2 Deactivation Mechanism of MnOx/MWCNTs Catalyst for Low-Temperature Selective Catalytic Reduction of NOx by Ammonia[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2175-2182
168. ZHANG Rong-Bin, LIANG Lei, ZENG Xian-Rong, SHANG Jin-Yan, WANG Tao, CAI Jian-Xin.Catalytic Properties of Ni /MWCNT and La-Promoted Ni /MWCNT for Methanation of Carbon Dioxide Reaction[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1951-1956
169. ZHANG Ji-Chao, CHENG Xue-Li, CHENG Yu-Qiao, MENG Xiang-Hua, LIU Yong-Jun, LIU Cheng-Bu.Selectivity of [2+2] C=O Cycloaddition and α-H Cleavage of Carbonyl Compounds on Si(100) Surface[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1849-1853
170. ZHAO Peng-Jun, WU Rong, HOU Juan, CHANG Ai-min, GUAN Fang, ZHANG Bo.One-Step Hydrothermal Synthesis and Visible-Light Photocatalytic Activity of Ultrafine Cu-Nanodot-Modified TiO2 Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1971-1977
171. MA Chi-Cheng, PU Min, WEI Min, LI Jun-Nan, LI Zhi-Hong.Two Possible Photoreaction Pathways on the L-Valine Optical Isomerization[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1830-1836
172. SHI Wei, HU Jun, NI Zhe-Ming, LI Yuan, LIU Jiao.Influence of Interlayer Water Content on Supermolecular Interaction of Copper-Iron Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1869-1876
173. ZHAO Wei-Na, LIN Hua-Xiang, LI Yi, ZHANG Yong-Fan, HUANG Xin, CHEN Wen-Kai.Coverage-Dependent Adsorption of X Clusters (X=Pt-Au, Au-Au) on the Defect-Free (3×2) TiO2(110) Surface[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1861-1868
174. LIU Hao, LIN Meng-Hai, TAN Kai.A Tight-Binding Density Functional Theory Study on Single-Walled Nanotubes from Anatase TiO2 (101) Sheets[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1843-1848
175. LIANG Gui-Jie, ZHONG Zhi-Cheng, CHEN Mei-Hua, XU Jie, XU Wei-Lin, HE Ping, HOU Qiu-Fei, LI Zai-Fang.Effect of Donor Moieties on the Electronic Structures and Absorption Spectra of Indoline Dyes[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1885-1891
176. WANG Guo, WANG Wei-Ning.Experimental and Theoretical Investigations on the Terahertz Vibrational Spectroscopy of Alanine Crystal[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1579-1585
177. WANG Feng-Jiao, ZHOU Dan-Hong, ZUO Shi-Ying, CAO Jian-Fang, PENG Xiao-Jun.Theoretical Calculations on the PET Property of BODIPY Fluorescent pH Probes[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1645-1650
178. HE Jing, XU Zhi-Guang, ZENG Yun-Xiu, XU Xuan, YU Lan, WANG Qi, LIU Hai-Yang.Effect of Substituents on Mn―O Bond in Oxo-Manganese(V) Corrole Complexes[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1658-1664
179. MA Hua-Xuan, ZHENG Yan-Ling, ZHAN Yi-Shi, TAN Ying, HUANG Xiao, PENG Qi, XU Xuan.The Cr—Cr Bonding Character in Metal String Complexes [Cr3(dpa)4LL'] (dpa=dipyridylamide; L, L'=Cl, BF4, CCPh)[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1637-1644
180. ZHANG Jun-Jun, ZHANG Zhen-Hua, GUO Chao, LI Jie, DENG Xiao-Qing.Electronic Transport Properties for a Zigzag-Edged Triangular Graphene[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1701-1706
181. GUO Xiao-Nan, DU Rui, ZHAO Yan-Ying, PEI Ke-Mei, WANG Hui-Gang, ZHENG Xu-Ming.Dynamic Structures of 2-Thiopyrimidone and 2-Thiopyridone in B-Band Absorptions[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1570-1578
182. TAN Fu-Rui, LI Hong-Bo, GUI Hui, ZHANG Jing, LI Ru, JIN He-Hua.Effects of Ultrasonic Dispersion on the Separation of Single-Walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1790-1796
183. NI Zhe-Ming, LIU Jiao, XUE Ji-Long, LI Yuan, SHI Wei.Effect of Divalent Metal Ions on the Stability of Cu-Containing Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1714-1720
184. LIU Xiao-Jun, LIN Tao, CAI Xin-Chen, GAO Shao-Wei, YANG Lei, MA Rui, ZHANG Jin-Yue.State-Specific (Linear-Response)-Polarizable Continuum Models/ Time-Dependent Density Functional Theory Study on the Absorption and Emission Spectra of an Organic Fluorescent Emitter[J]. Acta Phys. -Chim. Sin., 2012,28(06): 1329-1336
185. CONG Yan-Qing, LI Zhe, WANG Qi, ZHANG Yi, XU Qian, FU Fang-Xia.Enhanced Photoeletrocatalytic Activity of TiO2 Nanotube Arrays Modified with Simple Transition Metal Oxides (Fe2O3, CuO, NiO)[J]. Acta Phys. -Chim. Sin., 2012,28(06): 1489-1496
186. ZHAO Gao-Feng, WANG Yin-Liang, SUN Jian-Min, WANG Yuan-Xu.Geometries, Stabilities and Electronic Properties of Au12M (M=Na, Mg, Al, Si, P, S, Cl) Clusters[J]. Acta Phys. -Chim. Sin., 2012,28(06): 1355-1360
187. LIU Xiao-Jun, LIN Tao, GAO Shao-Wei, MA Rui, ZHANG Jin-Yue, CAI Xin-Chen, YANG Lei, TENG Feng.TDDFT Investigation and Design for Fluorescent Molecules with Push-Pull Structures[J]. Acta Phys. -Chim. Sin., 2012,28(06): 1337-1346
188. LÜ Yong-Jun, CHEN Min.Molecular Transport through Finite-Length Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1070-1076
189. YE Qing, ZHANG Yu, LI Ming, SHI Yao.Adsorption of Low Concentration CO2 by Modified Carbon Nanotubes under Ambient Temperature[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1223-1229
190. TANG Jing, ZENG Qiao, CHEN Zhen-Dong, HUANG Xiang-Qian.Electrochemical Indirect Measurement for the Study of Glutathione Adsorption on Multiwalled Carbon Nanotubes and Activated Carbon[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1269-1274
191. GAO Yu-Fei, MENG Qing-Yuan, ZHANG Lu, LIU Jia-Qiu, JING Yu-Hang.Molecular Dynamics Simulation of Thermal Transport Properties for Boron Nitride Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1077-1084
192. FAN Xiao-Li, LIU Yan, LIU Chong, LAU Woon-Ming.Reaction Pathways of Acetylene Adsorption on the Ge(001) Surface[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1107-1112
193. CAO Zhen-Feng, CHEN Qi-Bin, LU Yun-Xiang, LIU Hong-Lai, HU Ying.Electronic Absorption Spectra of Meso-Substituted Porphyrins and Their Zinc Derivatives[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1085-1093
194. JIANG Qian, CHU Wei, SUN Wen-Jing, LIU Feng-Si, XUE Ying.A DFT Study of Methane Adsorption on Nitrogen-Containing Organic Heterocycles[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1101-1106
195. WU Lin-Feng, LI Fei-Fei, ZHANG Cong-Jie.Structure and Stability of Compounds with Planar Pentacoordinate Carbons and Planar Tetracoordinate Carbons[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1113-1119
196. GU Jia-Fang, LU Chun-Hai, CHEN Wen-Kai, CHEN Yong, XU Ke, HUANG Xin, ZHANG Yong-Fan.Electronic Structures of Uranyl(VI) Carbonate Complexes in the Aqueous Phase[J]. Acta Phys. -Chim. Sin., 2012,28(04): 792-798
197. NIE Su-Lian, ZHAO Yan-Chun, FAN Jie-Wen, TIAN Jian-Niao, NING Zhen, LI Xiao-Xiao.Highly Active Pd-Co3O4/MWCNTs Catalysts for Methanol Electrocatalytic Oxidation[J]. Acta Phys. -Chim. Sin., 2012,28(04): 871-876
198. MAWen-Jin, LIU Jiang, SONG Xiang, ZHANG Xian-Ming, WU Hai-Shun.Structure Characteristics and Stability of AlnO2± Clusters[J]. Acta Phys. -Chim. Sin., 2012,28(04): 805-810
199. QIU Yi-Xiang, WANG Shu-Guang.Electronic Structures of Group IB Metal-Ethylene Complexes [N{(Me)C(Ph)N}2]M-C2H4 (M=Cu, Ag, Au)[J]. Acta Phys. -Chim. Sin., 2012,28(04): 811-817
200. LI Tian-Tian, WANG Chao-Yang, XING Li-Dan, LI Wei-Shan, PENG Bin, XU Meng-Qing, GU Feng-Long, HU She-Jun.Reaction Mechanism of 1,4-Dimethoxy Benzene as an Overcharge Protection Additive[J]. Acta Phys. -Chim. Sin., 2012,28(04): 818-822
201. JIN Yu, CHEN Hong-Yuan, CHEN Ming-Hai, LIU Ning, LI Qing-Wen.Carbon Nanotube/Polyaniline/Graphene Composite Paper and Its Electrochemical Capacitance Behaviors[J]. Acta Phys. -Chim. Sin., 2012,28(03): 609-614
202. LI Hai-Lan, JIA Yu-Xiang, HU Yang-Dong.Molecular Dynamics Simulation of the Desalination of Sea Water by a Forward Osmosis Membrane Containing Charged Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(03): 573-577
203. FAN Li-Tao, LI Ying, WU Di, LI Zhi-Ru, SUN Chia-Chung.Structures and Nonlinear Optical Properties of the Alkalides M+aza222M′- (M, M′=Li, Na, K)[J]. Acta Phys. -Chim. Sin., 2012,28(03): 555-560
204. WU Qi, SU Yu-Feng, SUN Lan, WANG Meng-Ye, WANG Ying-Ying, LIN Chang-Jian.Preparation and Visible Light Photocatalytic Activity of Fe-N Codoped TiO2 Nanotube Arrays[J]. Acta Phys. -Chim. Sin., 2012,28(03): 635-640
205. ZHANG Yu, MA Ning, WANG Wei-Zhou.Correlation between Bond-Length Change and Vibrational Frequency Shift in Hydrogen-Bonded Complexes Revisited[J]. Acta Phys. -Chim. Sin., 2012,28(03): 499-503
206. SUN Xiang-Ting, ZHANG Dong-Ju, FENG Da-Cheng, LIU Cheng-Bu.Asymmetric Michael Addition between Nitroolefins and Sulfur Ylides Catalyzed by a Thiourea Organocatalyst[J]. Acta Phys. -Chim. Sin., 2012,28(03): 561-566
207. XU Zou-Ming, WANG Yu-Xia, DAI Peng, KONG Wei-Quan.Efficient Blue Emission from Small-Molecule Organosilicon Monomer N-(3-Trimethoxysilylethyl)ethylenediamine[J]. Acta Phys. -Chim. Sin., 2012,28(03): 733-738
208. ZHU Jian-Bo, XU You-Long, WANG Jie, WANG Jing-Ping.Electropolymerization and Characterization of Fast Charge-Discharge PPy/F-SWNTs Composite Materials[J]. Acta Phys. -Chim. Sin., 2012,28(02): 373-380
209. ZHANG Zhi-Yu, HAN Pei-De, ZHANG Cai-Li, ZHANG Xue, SUN Xiang-Lei, LI Yu-Ping.Electronic Structures and Optical Properties of Cu:MgF2 Crystal[J]. Acta Phys. -Chim. Sin., 2012,28(02): 324-330
210. XIE Peng-Yang, ZHUANG Gui-Lin, LÜ Yong-An, WANG Jian-Guo, LI Xiao-Nian.Enhanced Bonding between Noble Metal Adatoms and Graphene with Point Defects[J]. Acta Phys. -Chim. Sin., 2012,28(02): 331-337
211. ZHAN Wei-Shen, PAN Shi, WANG Qiao, LI Hong, ZHANG Yi.Comparison of D-SS and D-ST Dyes as Photo Sensitizers in Dye-Sensitized Solar Cells[J]. Acta Phys. -Chim. Sin., 2012,28(01): 78-84
212. YIN Shi-Bin, LUO Lin, JING Sheng-Yu, ZHU Qiang-Qiang, QIANG Ying-Huai.Effect of Intermittent Microwave Heating on the Performance of Catalysts for Oxygen Reduction Reaction[J]. Acta Phys. -Chim. Sin., 2012,28(01): 85-89
213. WANG Li-Geng, SHI Wei, YAO Ping, NI Zhe-Ming, LI Yuan, LIU Jiao.Microstructure and Jahn-Teller Effect of Cu-Zn-Mg-Al Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2012,28(01): 58-64
214. DONG Hua-Qing, PAN Xi, XIE Qin, MENG Qiang-Qiang, GAO Jian-Rong, WANG Jian-Guo.CO Adsorption and Oxidation on Metal-Doped TiO2 Nanotube Arrays[J]. Acta Phys. -Chim. Sin., 2012,28(01): 44-50
215. MAN Mei-Ling, LU Chun-Hai, CHEN Wen-Kai, LI Yi, ZHANG Yong-Fan.Adsorption Properties of CO Molecules on Pt/t-ZrO2(101) Surfaces[J]. Acta Phys. -Chim. Sin., 2012,28(01): 51-57
216. ZHAO Rong-Jiao, HE Jin-Long, LI Jing, GUO Chang-Sheng, DU Yong, HONG Zhi.Terahertz Time-Domain Spectroscopy of L- and DL-Fudosteine[J]. Acta Phys. -Chim. Sin., 2011,27(12): 2743-2748
217. CHEN Shu-Hai, XU Yao, LÜ Bao-Liang, WU Dong.Microwave-Assisted Hydrothermal Synthesis of Ag-Loaded Titania Nanotubes and Their Photocatalytic Performance[J]. Acta Phys. -Chim. Sin., 2011,27(12): 2933-2938
218. ZHOU He-Gen, CHEN Hong, CHEN Dong, LI Yi, DING Kai-Ning, HUANG Xin, ZHANG Yong-Fan.Electronic Structures and Optical Properties of CuAlX2 (X=S, Se, Te) Semiconductors with a Chalcopyrite Structure[J]. Acta Phys. -Chim. Sin., 2011,27(12): 2805-2813
219. ZHANG Feng, WANG Hong-Yan, LIN Yue-Xia.Effects of Cu2+ on Proton Transfer Processes in an Adenine-Thymine Anion Base Pair[J]. Acta Phys. -Chim. Sin., 2011,27(12): 2799-2804
220. SUN Tao, WANG Yi-Bo.Calculation of the Binding Energies of Different Types of Hydrogen Bonds Using GGA Density Functional and Its Long-Range, Empirical Dispersion Correction Methods[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2553-2558
221. ZHAO Ping, XU Lian-Cai, MA Li.Spectral Research into Intramolecular Photoinduced Electron Transfer of Porphyrin-Anthraquinone Hybrids[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2541-2546
222. YU Shan-Qing, TIAN Hui-Ping, ZHU Yu-Xia, DAI Zhen-Yu, LONG Jun.Mechanism of Rare Earth Cations on the Stability and Acidity of Y Zeolites[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2528-2534
223. WANG Xi-Wen, JIANG Fang-Ting, SUO Quan-Ling, FANG Yu-Zhu, LU Yong.Self-supporting Macroscopic Carbon/Ni-Fiber Hybrid Electrodes Prepared by Catalytic Chemical Vapor Deposition Using Various Carbonaceous Compounds and Their Capacitive Deionization Performance[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2605-2612
224. ZHANG Sheng-Han, LIANG Ke-Xin, TAN Yu.Preparation of TiO2 Nanotube Arrays with Different Cerium Mixing Morphology and Their Photoelectrochemical Response in Visible Light[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2726-2732
225. WU Xiao-Jing, DAI Yun, ZHANG Nan, LI Jing.Analysis and Assignment of the Fluorescence Spectra of a Salt/Methanol System[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2535-2540
226. CUI Chao-Jie, QIAN Wei-Zhong, WEI Fei.Water-Assisted Growth of Carbon Nanotubes over Co/Mo/Al2O3 Catalyst[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2462-2468
227. LIU Yu-Ning, LIU Zi-Zhong, LI Wei-Qi, LIU Dong-Sheng, GE Xiang-Wei.Structures and Aromaticities of Complexes (1,3,5-C3P3H3)M and (1,3,5-C3P3H3)2M (M=Ti, V, Cr)[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2282-2290
228. LIU Xiao-Ting, GUO Jing-Fu, AN Di, WANG Dan, REN Ai-Min, FENG Ji-Kang.Theoretical Study on the Two-Photon Absorption Properties of Pyrazole Aluminum Compounds[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2303-2310
229. LI Gan, LUO Wen-Hua, CHEN Hu-Chi.Adsorption and Dissociation of CO2on the α-U(001) Surface[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2319-2325
230. SUN Jian, SUN Xiu-Xin, SUN Shi-Ling, QIU Yong-Qing, LI Chuan-Bi.Second-Order Nonlinear Optical Property for Transition Metal Complexes with Bis(imino)pyridine[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2297-2302
231. GAO Yun-Yan, LI Hai-Xia, OU Zhi-Ze, HAO Ping, LI Yi, YANG Guo-Qiang.Enhancing the Catalytic Activity of Peroxidase by Adsorption onto Fe3O4 Magnetic Nanoparticle/Multiwalled Carbon Nanotube Composite Surfaces[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2469-2477
232. XUE Rong, YAN Jing-Wang, TIAN Ying, YI Bao-Lian.Lanthanum Doped Manganese Dioxide/Carbon Nanotube Composite Electrodes for Electrochemical Supercapacitors[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2340-2346
233. KONG Wei-Yuan, WANG Hai-Jun, GU Fang.Depletion Potential between Two Colloid Particles Immersed in a Hard-Core Yukawa Fluid[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2400-2405
234. JIANG Teng, MA Wan-Fu, XIE Nan, ZHOU Ping.Study on the Interaction of EGCG with Zn(II) Based on Experiments and Density Functional Theory[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2291-2296
235. NIE Ping, SHEN Lai-Fa, CHEN Lin, SU Xiao-Fei, ZHANG Xiao-Gang, LI Hong-Sen.Sol-Gel Synthesis and Electrochemical Performance of Porous LiMnPO4/MWCNT Composites[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2123-2128
236. ZHOU Zi-Yan, LIU Min, SU Zhong-Min, XIE Yu-Zhong, DING Shen-De, WANG Hua-Jing.Proton-Transfer Isomerization Reactions of 2-(2-Hydroxybenzylidenamino)pyrimidine-4,6-diol[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2035-2042
237. LI Di, CHEN Hong-Chong, LI Jin-Hua, ZHOU Bao-Xue, CAI Wei-Min.Photoelectrocatalytic Performance and Reaction Mechanism of Different Organics upon Adsorption on a TiO2 Nanotube Array Electrode[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2153-2159
238. LIU Zhi-Feng, ZHU Heng-Jiang, CHEN Hang, LIU Li-Ren.Structures, Stabilities and Electronic Properties of InAs Tubelike Clusters and Single-Walled InAs Nanotubes[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2079-2087
239. LI Wei, QI Chuan-Song, WU Xin-Min, RONG Hua, GONG Liang-Fa.Relationship between Melting Point and the Interaction Energy of Alkyl Imidazolium Tetrafluoroborate Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2059-2064
240. PU Peng, XU Can, XIE Shu-Yu.Influence of the Size Effect on the Chemical Shielding Tensors of SiO2 Nanotubes[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2227-2232
241. ZHU Yuan-Qiang, GUO Jian-Chun, YE Zhong-Bin.AuClx (x=1, 3)-Catalyzed Benzannulation Mechanisms between 2-Propynyl-hypnone and Benzyne[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2043-2050
242. LIU Jiao, YAO Ping, NI Zhe-Ming, LI Yuan, SHI Wei.Jahn-Teller Effect of Cu-Mg-Al Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2088-2094
243. HE Rui, JIAO Yan-Hua, LIANG Yuan-Yuan, CHEN Can-Yu.Accurate Predictions of the NMR Parameters in Organic and Biological Crystallines[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2051-2058
244. YANG Jing, SUN Ying-Xin, ZHAO Li-Feng, SUN Huai.Phosphorous Moieties in P-ZSM-5 Zeolites[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1823-1830
245. SHEN Tao, DU Feng-Pei, LIU Ting, YAO Guang-Wei, WU Zheng, FANG Meng-Meng, XU Xiao-Jie, LU Hui-Zhe.Molecular Simulation of the Interaction between Imidazole Glycerol Phosphate Dehydrase and Nitrogen-Containing Heterocyclic Phosphate Inhibitors[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1831-1838
246. LIN Jian-Xin, WANG Guo-Hua, WANG Rong, LIN Bing-Yu, NI Jun, WEI Ke-Mei.Preparation and Characterization of Ru/CNTs-Al2O3 Catalyst for Ammonia Synthesis[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1961-1967
247. YAO Shu-Juan, SHAO Xin, CUI Shou-Xin, ZHAO Jian-Wei, ZHOU Cheng-Gang.Adsorption and Migration of Pt Atoms on γ-Al2O3(001) Surface[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1816-1822
248. FANG Yu-Zhu, JIANG Fang-Ting, LU Yong.Electrocatalytic Performance of Self-Supporting CNTs/SMF-Ni Hybrid Electrodes for the Aerobic Oxidation of p-MT to p-MBA[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1854-1858
249. SUN Hai-Tao, TIAN Xiao-Hui, YUAN Yi-Zhong, SUN Jin-Yu, SUN Zhen-Rong, ZHUO Xiao-Ling.Density Functional Theory Study on Vinyl Thiophene Group Conjugated Spirooxazines[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1847-1853
250. XU Ling, SHEN Xiao-Xu, XIAO Qiang, ZHONG Yi-Jun, YE Su-Fang, YE Xiang-Rong, ZHU Wei-Dong.Preparation, Characterization and Catalytic Properties of Pd/Fe3O4-MCNT Magnetically Recyclable Catalysts[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1956-1960
251. LIU Chun-Guang.Electronic Structures and Second-Order Nonlinear Optical Properties of a Series of Pt―Pt Bond-Containing Metal Complexes[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1661-1665
252. ZHANG Li-Li, HAN Pei-De, ZHANG Cai-Li, DONG Ming-Hui, YANG Yan-Qing, GU Xiang-Yang.Density Functional Theory Study on the Stability and Electronic Properties of MgF2 Surfaces[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1609-1614
253. LIANG Jian-Ming, ZHANG Ri-Guang, ZHAO Qiang, DONG Jin-Xiang, WANG Bao-Jun, LI Jin-Ping.Hydrogen Adsorption on Zeolite Na-MAZ and Li-MAZ Clusters[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1647-1653
254. LIU Xiao-Jun, WANG Ning, CHENG Hao .Local and Long-Range Hybrid Density Functional Study on an Organic Light-Emitting Molecule with Pull-Push Structure[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1640-1646
255. CAI Yue-Piao, WANG Chao-Jie.Structures and Properties of NFeN and the Reaction Potential Energy Curves[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1346-1356
256. SUN Lei, BAI Fu-Quan, ZHANG Hong-Xing.Theoretical Investigation of Chemically Enhanced Mechanism of SERS Spectroscopy for Ag/MPH/TiO2 System[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1335-1340
257. HAN Guang-Zhan, ZHANG Chao, GAO Ji-Gang, QIAN Ping.Quantum Chemistry Study on the Stable Structures of C2H5OH(H2O)n (n=1-9) Clusters[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1361-1371
258. CONG Ye, QIN Yun, LI Xuan-Ke, DONG Zhi-Jun, YUAN Guan-Ming, CUI Zheng-Wei.Preparation and Visible Light Photocatalytic Activity of Titanium Dioxide Coated Multiwalled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1509-1515
259. LI Jing-Hong, ZHOU Dan-Hong, REN Jue.Theoretical Study of Ethylene Dimerization on the Ga/HZSM-5 Zeolite[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1393-1399
260. GUO Xiao-Wei, TENG Bo-Tao, YUAN Jin-Huan, ZHAO Yun, ZHAO Yue, LIU Sha.Density Functional Theory Study of Atomic and Molecular Oxygen Adsorption on Au Clusters[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1068-1074
261. ZHAO Gao-Feng, XIANG Bing, SHEN Xue-Feng, SUN Jian-Min, BAI Yan-Zhi, WANG Yuan-Xu.Structures and Stabilities of Small Zirconium Oxide Clusters[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1095-1102
262. DU Yu-Dong, ZHAO Wei-Na, GUO Xin, ZHANG Yong-Fan, CHEN Wen-Kai.Adsorption and Dissociation of Methanol on Perfect FeS2(100) Surface[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1075-1080
263. ZHANG Jian-Po, JIN Li, ZHANG Hong-Xing.Structures and Spectroscopic Properties of [Ru(iph)(L)2]2+ (L=cpy, mpy, npy) Complexes Containing Tetradentate Ligands[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1089-1094
264. LI Huan-Huan, CHEN Run-Feng, MA Cong, ZHANG Sheng-Lan, AN Zhong-Fu, HUANG Wei.Titanium Oxide Nanotubes Prepared by Anodic Oxidation and Their Application in Solar Cells[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1017-1025
265. LI Yan-Feng, ZHU Ji-Qin, LIU Hui, HE Peng, WANG Peng, TIAN Hui-Ping.Theoretical Study of the Double-Bond Isomerization of 1-Hexene to cis-2-Hexene over ZSM-5 Zeolite[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1081-1088
266. ZHONG Ai-Guo, HUANG Ling, JIANG Hua-Jiang.Structure, Spectroscopy and Reactivity of H2S Bonding to Metal(II) Porphyrins[J]. Acta Phys. -Chim. Sin., 2011,27(04): 837-845
267. CHENG Li, ZHANG Zi-Ying, SHAO Jian-Xin.Electronic Structures and Optical Properties of the O Vacancy in ZnO[J]. Acta Phys. -Chim. Sin., 2011,27(04): 846-850
268. LI Jun-Nan, PU Min, HE Shu-Heng, HE Jing, EVANS David G..Reaction Mechanism of Acetylene Hydrogenation Catalyzed by Pd8 Cluster[J]. Acta Phys. -Chim. Sin., 2011,27(04): 793-800
269. SU Ya-Ling, LI Yi, DU Ying-Xun, LEI Le-Cheng.Visible-Light-Driven Catalytic Properties and First-Principles Study of Fluorine-Doped TiO2 Nanotubes[J]. Acta Phys. -Chim. Sin., 2011,27(04): 939-945
270. YANG Zong-Xian, XIE Luo-Gang.Adhesion of Small Cux (x=1-4) Clusters on a CeO2(111) Surface[J]. Acta Phys. -Chim. Sin., 2011,27(04): 851-857
271. YU Yong-Jiang, WANG Hua-Yang, YANG Chuan-Lu, CHEN Jian-Nong.First-Principles Investigation on the Interaction of Aun(n=2-9) Clusters with Ethanol[J]. Acta Phys. -Chim. Sin., 2011,27(04): 808-814
272. GONG Liang-Fa, WU Xin-Min, LI Wei, QI Chuan-Song.Stability and Aromaticity of XB6+ (X=C, Si, Ge, Sn, Pb) Clusters[J]. Acta Phys. -Chim. Sin., 2011,27(04): 831-836
273. AN Xiao-Ying, HE Rong-Xing, HUANG Cheng, LI Ming.Mechanism of AuCl3-Catalyzed Synthesis of Highly Substituted Furans Based on 2-(1-Alkynyl)-2-alken-1-ones[J]. Acta Phys. -Chim. Sin., 2011,27(03): 577-583
274. LU Yue-Mei, GONG Qian-Ming, LU Fang-Ping, LIANG Ji, NIE Qing-Dong, ZHANG Xiu-Mei.Preparation of Sulfonated Carbon Nanotubes/Activated Carbon Composite Beads and Their Adsorption Capacity for Low Density Lipoprotein[J]. Acta Phys. -Chim. Sin., 2011,27(03): 683-688
275. WANG Jia-Yong, BI Si-Wei, ZHAO Jun-Feng.Reaction Mechanisms between (Cl-nacnac)Pt(H) and a Terminal Alkyne[J]. Acta Phys. -Chim. Sin., 2011,27(03): 571-576
276. ZHAO Min, ZHANG Yuan, WANG Lu.Second-Order Nonlinear Optical Properties of Organic Heteroaromatic Molecules with Carbazole Chromophores[J]. Acta Phys. -Chim. Sin., 2011,27(03): 584-588
277. CUI Feng-Chao, YU Hong-Bo, WANG Qin, YE Wan-Li, LIU Jing-Yao.Mechanism and Kinetics of the CH3OCF2CF2OCH3+Cl Reaction[J]. Acta Phys. -Chim. Sin., 2011,27(02): 337-342
278. WANG Xiao-Wei, JIANG Gang, DU Ji-Guang.Structures, Infrared Spectra and Reactivities of (+)-Catechin Metal Complexes[J]. Acta Phys. -Chim. Sin., 2011,27(02): 309-314
279. CHEN Ye, CHEN Jian-Hua, GUO Jin.Adsorption of O2 and CN on the Copper Activated Sphalerite (110) Surface[J]. Acta Phys. -Chim. Sin., 2011,27(02): 363-368
280. WANG Zhi-Qiang, SUN Wen-Jing, CHU Wei, YU Liang-Jun.Reaction Mechanism and Solvent Effects of Styrene Epoxidation with Hydrogen Peroxide[J]. Acta Phys. -Chim. Sin., 2011,27(02): 322-328
281. WEI Hang, ZHANG Rong-Hong, YUAN Bo, YANG Fan, LI Quan, ZHAO Ke-Qing.Electronic Spectra and Nonlinear Optical Properties of 8-Hydroxyquinolinolate-Ag (Pt) Metal Complexes[J]. Acta Phys. -Chim. Sin., 2011,27(02): 302-308
282. LI Li-Xiang, LIU Yong-Chang, GENG Xin, AN Bai-Gang.Synthesis and Electrochemical Performance of Nitrogen-Doped Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2011,27(02): 443-448
283. HU Jian-Ping, WANG Jun, TANG Dian-Yong, FU Qin-Chao, ZHANG Yuan-Qin.Reaction Mechanisms of CO Oxidation Catalyzed by Binary Copper Group Cluster Anions[J]. Acta Phys. -Chim. Sin., 2011,27(02): 329-336
284. SUN Xiu-Xin, LIU Yan, ZHAO Hai-Bo, SUN Shi-Ling, LIU Chun-Guang, QIU Yong-Qing.Electronic Structures and Nonlinear Optical Properties of Pyridine- Based Ru(II) Complexes Containing Thiophene Rings[J]. Acta Phys. -Chim. Sin., 2011,27(02): 315-321
285. LUO Ying, CUI Xiao-Li, XIE Jing-Ying.Preparation and Visible Light Photoelectrochemical Response of TiO2-MoO3 Composite Nanotube Thin Films[J]. Acta Phys. -Chim. Sin., 2011,27(01): 135-142
286. BAI Yan-Zhi, ZHAO Gao-Feng, SHEN Xue-Feng, SUN Jian-Min, WANG Yuan-Xu.Geometries, Electronic and Magnetic Properties of TbSin (n=2-13) Clusters[J]. Acta Phys. -Chim. Sin., 2011,27(01): 39-46
287. HAO Ping, GAO Yun-Yan, OU Zhi-Ze, LI Yi, WANG Zhong-Li, WANG Xue-Song.Preparation of Aminopyridine Grafted Carbon Nanotube and Its Interaction with Horseradish Peroxidase[J]. Acta Phys. -Chim. Sin., 2011,27(01): 233-240
288. WAN Jing-Bai, LIU Shu-Zhen, PAN Shu-Ying, XU Xuan, LI Xu, YE Bing.Stability and Electronic Spectra of Chlorin e6 Lysine Amides[J]. Acta Phys. -Chim. Sin., 2011,27(01): 32-38
289. LI Yan-Feng, ZHU Ji-Qin, LIU Hui, WANG Peng, TIAN Hui-Ping.Increase in the Hydrothermal Stability of the La-Modified ZSM-5 Zeolite[J]. Acta Phys. -Chim. Sin., 2011,27(01): 52-58
290. SHI Jun-You, DONG Li-Hua, LIU Yong-Jun.Effect of Hydroxylation on Structures and Proton Transfer of A-T Base Pairs[J]. Acta Phys. -Chim. Sin., 2010,26(12): 3329-3336
291. CHENG Ying-Wu, YANG Zhi, WEI Hao, WANG Yan-Yan, WEI Liang-Ming, ZHANG Ya-Fei.Progress in Carbon Nanotube Gas Sensor Research[J]. Acta Phys. -Chim. Sin., 2010,26(12): 3127-3142
292. ZHANG Jing-Jing, GAO Hong-Wei, WEI Tao, WANG Chao-Jie.Molecular Design of 3,3′-Azobis-1,2,4,5-tetrazine-Based High-Energy Density Materials[J]. Acta Phys. -Chim. Sin., 2010,26(12): 3337-3344
293. SUN Li-Li, ZHAO Yue-Hong, HAN Qing-Zhen, WEN Hao.Solvent Effect in the Reaction between Bis[1,2-di(trifluoromethyl) ethylene-1,2-dithiolato] Nickel and Butadiene[J]. Acta Phys. -Chim. Sin., 2010,26(12): 3345-3350
294. HE Yong, TANG Zi-Long, ZHANG Zhong-Tai.Preparation and Electrochemical Performance of H2Ti2O5·H2O/Cr2O3 Nanotubes as AnodeMaterials for Lithium-Ion Batteries[J]. Acta Phys. -Chim. Sin., 2010,26(11): 2962-2966
295. ZHOU Jin-Mei, LI Hai-Yan, LIN Guo-Dong, ZHANG Hong-Bin.Purification of Multiwalled Carbon Nanotubes and Characterization of Their Oxygen-Containing Surface Groups[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3080-3086
296. CAO Fei, TAN Kai, LIN Meng-Hai.Geometric and Electronic Structures of Hexanuclear Binary Ta/Rh Mixed Clusters[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3061-3066
297. NI Bi-Lian, ZHOU He-Gen, JIANG Jun-Quan, LI Yi, ZHANG Yong-Fan.Electronic Structure and Optical Properties of the Novel Nonlinear LiAsSe2 Crystal[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3052-3060
298. HU Qiong, WANG Guo-Ying, OU Jia-Ming, WANG Rui-Li.Effect ofWater Ligation on the Redox Potential and Infrared Spectra of Chlorophyll-a[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3035-3040
299. XIE Xiu-Juan, CHEN Wen-Kai, SUN Bao-Zhen, GUO Xin, ZHANG Yong-Fan.Adsorption Behavior of NO on Cu3Pt(111) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3047-3051
300. XIONG Zhen-Hu, WANG Lu, ZHOU Jian-Guo, LIU Jian-Ming.Thermodynamics and Kinetics of Adsorption of Diclofenac on Magnetic Multiwalled Carbon Nanotubes in an Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2010,26(11): 2890-2898
301. ZHANG Zhi-Yu, SANG Li-Xia, SUN Biao, ZHANG Xiao-Min, MA Chong-Fang.Kinetics and Electrochemical Impedance Properties of TiO2 Nanotube Array Photoelectrode[J]. Acta Phys. -Chim. Sin., 2010,26(11): 2935-2940
302. WEN Xiao-Nan, ZHANG Jing, GU Wen-Xiu, JIN He-Hua, LI Hong-Bo, LI Qing-Wen.Effects of NaCl on the Separation of Single-Walled Carbon Nanotubes by Agarose Gel Electrophoresis[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2757-2762
303. CHEN Ye, CHEN Jian-Hua, GUO Jin.Effect of Natural Impurities on the Electronic Structures and Semiconducting Properties of Sphalerite[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2851-2856
304. ZHONG Ai-Guo, HUANG Ling, LI Bai-Lin, JIANG Hua-Jiang, LIU Shu-Bin.Structure, Spectroscopy and Reactivity Properties of Helically Chiral Metal(II)-Bisdipyrrin Complexes[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2763-2771
305. LIU Jie-Xiang, ZHANG Xiao-Guang, DUAN Zhong-Yu, LIU Xiao-Li.NOx Molecule Adsorption in [Ag]-MAPO-5 (M=Si, Ti)Molecular Sieves[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2679-2685
306. SUN Ying, REN Ai-Min, MIN Chun-Gang, ZOU Lu-Yi, REN Xue-Feng.Theoretical Investigation of the Key Reaction for the Chemiluminescence of Cypridina Luciferin Analogues[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2779-2786
307. ZHENG Wen-Rui, XU Jing-Li, XIONG Rui.Density Functional Theory Study on N—O Bond Dissociation Enthalpies[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2535-2542
308. GUO Pei-Zhi, HAN Guang-Ting, WANG Bao-Yan, ZHAO Xiu-Song.Biomolecule-Assisted Hydrothermal Synthesis and Optical Properties of Cu7S4 Nanotubes[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2557-2562
309. CHEN Ben, HE Rong, XING LI Ming.Electronic Structures and Spectral Properties of 3-Pyrrolidinobenzanthrone[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2515-2522
310. DUAN Gui-Hua, GAO Hong-Ze, WANG Li-Juan, ZHANG Hou-Yu, MA Yu-Guang.Charge Transport Properties of Anthracene Derivatives[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2292-2297
311. ZHAO Yan-Chun, LAN Huang-Xian, DENG Bin-Bin, TIAN Jian-Niao, YANG Xiu-Lin, WANG Feng-Yang.Electrocatalytic Oxidation of Methanol with Poly Functionalized Multiwalled Carbon Nanotubes Supported Pt Catalysts[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2255-2260
312. NING Hua, TAO Xiang-Ming, WANG Mang-Mang, CAI Jian-Qiu, TAN Ming-Qiu.Density Functional Theory Study on Hydrogen Adsorption on Be(0001) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2267-2273
313. LIU Xiao-Liang, REN Yi, LIANG Liang-Wen, XU Hui.Electronic Structures and Optical Properties of BeO under High Pressure[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2298-2305
314. CAO Xu-Long, LV Kai, CUI Xiao-Hong, SHI Jing, YUAN Shi-Ling.Interactions between Anionic Surfactants and Cations[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1959-1964
315. LI Qiang-Gen, XUE Ying, GUO Yong, YAN Guo-Sen.Phosphonylation and Activity Loss Mechanism of the Catalytic Triad of Fatty Acid Amide Hydrolase: Theoretical Study of a Model System[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1965-1975
316. GUO Yuan-Yuan, WANG Ming, MAO Xiao-Bo, JIANG Yue-Xiu, WANG Chen, YANG Yan-Lian.Growth Mechanism for Controlled Synthesis of Metal Nanotube and Nanowire Arrays Using Anodic Aluminum Oxide Templates[J]. Acta Phys. -Chim. Sin., 2010,26(07): 2037-2043
317. MA Jia-Bi, WU Xiao-Nan, ZHAO Yan-Xia, HE Sheng-Gui, DING Xun-Lei.Experimental and Theoretical Studies of the Reactions between Vanadium Oxide Cluster Anions and Small Hydrocarbon Molecules[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1761-1767
318. GONG Xiao-Xia, DU Ji-Guang, JIANG Gang.Structures and Stabilities of PbmTen (m+n≤6) Clusters[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1669-1675
319. HU Yan-Fei, JIANG Gang, MENG Da-Qiao, KONG Fan-Jie.Phase Transition and Thermodynamic Properties of TiO2[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1664-1668
320. LIU Xiao-Ming, NI Zhe-Ming, YAO Ping, XU Qian, MAO Jiang-Hong, WANG Qiao-Qiao.Comparison of Three Reaction Mechanisms for the Water Gas Shift Reaction on Au(111) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1599-1606
321. LU Hui-Zhe, FENG Zhen-Gao, LI Chang, YUAN Hui-Zhu, QIN Zhao-Hai.Electronic Structure Comparison between Pyrimorph and Its Phenyl Analog[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1623-1628
322. WANG Wen-Li, LIN Hong, ZHANG Luo-Zheng, LI Xin, CUI Bai, LI Jian-Bao.Electrochemical Impedance Spectroscopy Analysis of an Electrophoretic Titania Nanotube/Nanoparticle Composite Film[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1249-1253
323. MA Wen-Jin, SONG Xiang, ZHANG Xian-Ming, WU Hai-Shun.Structural Characteristics and Stability of CnAl+ Small-Size Clusters[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1396-1400
324. ZHAN Wei-Shen, PAN Shi, LI Yuan-Zuo, CHEN Mao-Du.Molecular Design of D5 Analogues for Dye-Sensitized Solar Cells[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1408-1416
325. LI Gan, LUO Wen-Hua, CHEN Hu-Chi.CO Adsorption on α-U(001) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1378-1384
326. KAN Yu-He, WU Kai, ZHU Yu-Lan, HOU Li-Mei, SU Zhong-Min.Charge Transfer Properties of Fluorine-Functionalized Thieno-Tetrathiafulvalene as Organic Field-Effect Materials[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1423-1428
327. LI Xue-Liang, CHEN Jie-Jie, LUO Mei, CHEN Xiang-Ying, LI Pei-Pei.Quantum Chemical Calculation of Hydroxyalkyl Ammonium Functionalized Ionic Liquids for Absorbing SO2[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1364-1372
328. YU Shuai-Qin, JIA Xiang-Feng, DONG Li-Hua, YIN Yan-Sheng.Structures andMagnetic Properties of Fe6-xAlx Clusters[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1391-1395
329. HE Zheng-Wen, JIANG Qi, YANG Rong, QI Peng, ZHAO Fei, YUAN Hua, ZHAO Yong.Preparation of Carbon Nanotube Chemically Modified Electrode via Growing In situ Method by the Direct Current Electrochemical Deposition Nickel Catalyst[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1214-1218
330. XIE Li-Ming, YU Xue-Chun, FENG Chao-Qun, ZHANG Jin, LIU Zhong-Fan.Raman Characterization of a Highly Folded Individual Serpentine (7,5) Single-Walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2010,26(04): 801-804
331. GAN Lin, LIU Song, LI Dan-Na, GU Hang, CAO Yang, SHEN Qian, WANG Zhen-Xing, WANG Qing, GUO Xue-Feng.Facile Fabrication of the Crossed Nanotube-Graphene Junctions[J]. Acta Phys. -Chim. Sin., 2010,26(04): 1151-1156
332. DENG Chun-Mei, NIU Ying-Li, PENG Qian, SHUAI Zhi-Gang.Electronic Structures and Spectroscopic Properties of Group-14 Metalloles MPh6 (M=Si, Ge, Sn)[J]. Acta Phys. -Chim. Sin., 2010,26(04): 1051-1058
333. CAI Xue, QI Dong-Dong, ZHANG Yue-Xing, BIAN Yong-Zhong, JIANG Jian-Zhuang.Semiconductor Properties of Perylene Diimide Derivatives[J]. Acta Phys. -Chim. Sin., 2010,26(04): 1059-1064
334. ZHANG Cheng, YAN Yan, CHEN Li-Tao, MA Chun-An.Photoelectric Properties of 9,9’-Spirobifluorene[J]. Acta Phys. -Chim. Sin., 2010,26(04): 1075-1081
335. WANG Luo-Xin, XU Jie, ZOU Han-Tao, YI Chang-Hai.Effect of Chirality and Size on the Thermal Decomposition of Nitromethane Confined inside Single-Walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2010,26(03): 721-726
336. WANG Hong-Jie, HU Fan, LI Shen-Min.Mixed Quantum-Classical Dynamics Simulations on the Vibrational Spectral Probe in a SWCT Confined Solvent[J]. Acta Phys. -Chim. Sin., 2010,26(03): 714-720
337. YU Li, ZHENG Guang, HE Kai-Hua, ZENG Zhong-Liang, CHEN Qi-Li, WANG Qing-Bo.Electronic Structure and Magnetism of Transition Metal Doped SnO2[J]. Acta Phys. -Chim. Sin., 2010,26(03): 763-768
338. WU Yan-Ni, LIAO Shi-Jun.Shortened Carbon Nanotubes as Supports to Prepare High-Performance Pt/SCNT and PtRu/SCNT Catalysts for Fuel Cells[J]. Acta Phys. -Chim. Sin., 2010,26(03): 669-674
339. ZHAI Xiao-Hui, LONG Hui-Jin, DONG Jiang-Zhou, CAO Ya-An.Doping Mechanism of N-TiO2/ZnO Composite Nanotube Arrays and Their Photocatalytic Activity[J]. Acta Phys. -Chim. Sin., 2010,26(03): 663-668
340. ZHAO Yi, DONG Dong-Dong, BI Si-Wei.Mechanism of the Model Reaction between CpRu(PH3)2SH and HNCS[J]. Acta Phys. -Chim. Sin., 2010,26(03): 745-750
341. WU Ying-Lei, YANG Jun, WANG Jiu-Lin, YIN Li-Chao, NULI Yan-Na.Composite Cathode Structure and Binder for High Performance Lithium-Sulfur Battery[J]. Acta Phys. -Chim. Sin., 2010,26(02): 283-290
342. CHEN Xiu-Min, YANG Bin, TAO Dong-Ping, DAI Yong-Nian.Formation Mechanism of [AlCl]n during Production of Aluminum by AlCl Disproportionation[J]. Acta Phys. -Chim. Sin., 2010,26(02): 415-421
343. LIU Ling-Ling, WANG Yong-Cheng.Spin-Forbidden Reaction Mechanism of CO2 Cleavage Activated by W+ in Gas Phase[J]. Acta Phys. -Chim. Sin., 2010,26(02): 441-446
344. ZANG Yang, HAO Xiao-Gang, WANG Zhong-De, ZHANG Zhong-Lin, LIU Shi-Bin.Copolymerization and Capacitive Performance of Composite Carbon Nanotubes/Polyaniline/Nickel Hexacyanoferrate Films[J]. Acta Phys. -Chim. Sin., 2010,26(02): 291-298
345. TANG Dian-Yong, HUANG Xue-Na, ZOU Ting, JIN Cheng, HU Jian-Ping, FU Qin-Chao.Geometric Structures and Electronic Properties of Small Gold-Palladium Binary Clusters[J]. Acta Phys. -Chim. Sin., 2010,26(02): 453-460
346. LI Min-Jie, LI Ya-Jun, PENG Chun-Rong, LU Wen-Cong.Structures and Antioxidant Activities of Lespedezaflavonone from Lespedeza Virgata[J]. Acta Phys. -Chim. Sin., 2010,26(02): 466-470
347. JIANG Fu-Ling, ZHAI Gao-Hong, DING Li, YUE Ke-Fen, LIU Ni, SHI Qi-Zhen, WEN Zhen-Yi.Effects of NO2, OH and OH- on the Initial Pyrolysis of β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine[J]. Acta Phys. -Chim. Sin., 2010,26(02): 409-414
348. CAO Qing-Song, DENG Kai-Ming.Structure Stability and Electronic Properties of C56X10(X=F, Cl, Br, I)[J]. Acta Phys. -Chim. Sin., 2010,26(02): 461-465
349. LEI Yong-Lin, HUO Ji-Chuan.Effect of Alkyl Substitution on the Electronic Structure and Spectrum of Rhodamine[J]. Acta Phys. -Chim. Sin., 2010,26(02): 447-452
350. PENG Hong-Liang, YU Xian-Yong, YI Ping-Gui, WANG Zhao-Xu, LI Xiao-Fang, WANG Tao, ZHOU Ji-Ming.Intramolecular Proton Transfer Reaction and Solvent Effects in 2-(3-Mercapto-2-pyridyl)benzimidazole[J]. Acta Phys. -Chim. Sin., 2010,26(01): 141-148
351. CHEN Xiao-Hua, FAN Yong-Ming, CAO Chun-Yu, HU Hong-Zhi.Optical Characteristics of Lignin with a Quinoid Structure[J]. Acta Phys. -Chim. Sin., 2010,26(01): 125-130
352. LIU Hai-Bo, QIU Yong-Qing, SUN Shi-Ling, SUN Xiao-Na, SU Zhong-Min.DFT Study on the Nonlinear Optical Properties of Bisimidazole and Bistriazole Benzenes and Their Derivatives[J]. Acta Phys. -Chim. Sin., 2010,26(01): 120-124
353. WANG Luo-Xin, YI Chang-Hai, ZOU Han-Tao, XU Jie, XU Wei-Lin.cis-trans Isomerization of Azobenzene Confined inside an Armchair (8,8) Single-Walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2010,26(01): 149-154
354. MA Chun-An, LIU Ting, CHEN Li-Tao.CO and H Adsorption on Pt/WC(0001) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(01): 155-162
355. REN Xue-Feng, REN Ai-Min, WANG Qin, FENG Ji-Kang.Structural and Optical Properties of meso-Substituted Porphyrin Derivatives[J]. Acta Phys. -Chim. Sin., 2010,26(01): 110-114
356. SONG Jian-Min, LIU Dong-Zhou, WANG Yun-Ming, LIU Li-Fang, KANG Yan-Shuang, WANG Bao-Zhu, ZHU Ling-Xin, LIU Shu-Hua.Density Profile and Solvation Force for Hyperbranched Polymerization Fluids Confined in Parallel Plates[J]. Acta Phys. -Chim. Sin., 2010,26(01): 169-174
357. YAO Ping, NI Zhe-Ming, XU Qian, MAO Jiang-Hong, LIU Xiao-Ming, WANG Qiao-Qiao.Supermolecular Interactions in Magnesium-Tin Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2010,26(01): 175-182
358. XU Xiao-Fang, GAO Fang, LI Hong-Ru, ZHANG Sheng-Tao.Excited State Intramolecular Proton Transfer of a Chromophore Linked to Benzotriazole Derivatives[J]. Acta Phys. -Chim. Sin., 2010,26(01): 131-140
359. HE Shu-Heng, PU Min, LI Jun-Nan, HE Jing, EVANS David G..Assembly, Structure and Properties of Acid Orange 7-Pillared Zn/Al Hydrotalcite[J]. Acta Phys. -Chim. Sin., 2010,26(01): 259-264
360. WANG Hui-Ping, BAI Fu-Quan, ZHENG Qing-Chuan, ZHAO Zeng-Xia, ZHAO Xiao-Jie, ZHANG Hong-Xing.Electronic Structures and Optical Properties of Indolocarbazole Isomers[J]. Acta Phys. -Chim. Sin., 2010,26(01): 115-119
361. CHEN Jin-Can, CHEN Lan-Mei, LIAO Si-Yan, ZHENG Kang-Cheng.Hydrolysis Mechanismof the Antitumor Complex [HL][trans-RuIIICl4L2] (L=2-NH2-5-Me-STz)[J]. Acta Phys. -Chim. Sin., 2009,25(12): 2543-2550
362. ZUO Zhi-Jun, HUANG Wei, HAN Pei-De, LI Zhi-Hong.CO and H2 Molecules Adsorption on Cu(111) Surface and Solvent Effects[J]. Acta Phys. -Chim. Sin., 2009,25(12): 2507-2512
363. LIU Jian-Cai, ZHANG Xin-Ming, CHEN Ming-An, TANG Jian-Guo, LIU Sheng-Dan.Prediction of the Surface Segregation of Trace Elements on the Al(100) Surface by Density Functional Theory[J]. Acta Phys. -Chim. Sin., 2009,25(12): 2519-2523
364. WANG Qing-Gao, YANG Zong-Xian, WEI Shu-Yi.DFT+U Study on the Interaction of Water Molecule and Ceria (111) Surface[J]. Acta Phys. -Chim. Sin., 2009,25(12): 2513-2518
365. ZHANG Dong-Dong, ZHOU Li-Xin.Interaction of a trans-Palladium(II) Complex Containing Planar Amine Ligands with DNA Bases[J]. Acta Phys. -Chim. Sin., 2009,25(12): 2551-2557
366. CAO Yong, JIAO Qing-Ze, ZHAO Yun.Synthesis of N-doped and Undoped Carbon Nanotubes on Fe/MgO Catalysts[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2380-2384
367. ZHAO Ya-Hua.Hydrolysis Mechanism of New Anticancer Drug Transplatin Analogues Containing One Nonplanar Heterocyclic Amine Ligand[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2350-2356
368. ZHENG Wei-Ling, XIAO Tan, ZHU Meng-Qi, WU Ping.Preparation and Dispersivity of Multiwalled Carbon Nanotubes Coated by Poly(phenylacetylene)[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2373-2379
369. ZHU Yue, PU Min, HE Jing, EVANS David G..Photoisomerization Mechanism of the Trans-cis Azobenzene Sulphonate Derivatives[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2296-2304
370. ZHAO Xin-Xin, TAO Xiang-Ming, MI Yi-Ming, CHEN Shu, TAN Ming-Qiu.Geometric Structures and Electronic States of Ni(110)-p2mg(2×1)-CO Surface[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2305-2311
371. FU Qing-Bin, GAO Bo, SU Ling-Hao, YUAN Chang-Zhou, LU Xiang-Jun, ZHANG Xiao-Gang.Preparation of Polypyrrole/Benzenesulfonic Functionalized Multi-Walled Carbon Nanotubes Induced by Hydrogen Bonding and Their Electrochemical Behavior[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2199-2204
372. LI Zhen-Hua, JIANG Yuan, ZHAO Pei, SHANG Xue-Fu, YANG Hui, WANG Miao.Synthesis of Single-Walled Carbon Nanotube Films with Large Area and High Purity by Arc-Discharge[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2395-2398
373. YANG Zong-Xian, YU Xiao-Hu, MA Dong-Wei.Adsorption and Diffusion of Oxygen Atomon Pt3Ni(111) Surface with Pt-Skin[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2329-2335
374. NI Zhe-Ming, XU Qian, YAO Ping, MAO Jiang-Hong, LIU Xiao-Ming.Influence of Interlayer Water Content on theMechanical Properties of Mg3Al-LDHs-Cl[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2325-2328
375. LV Cun-Qin, LING Kai-Cheng, WANG Gui-Chang.Decomposition of Methylamine on the Clean and P Modified Mo(100) Surfaces[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2336-2342
376. LIU Jie-Xiang, WEI Xian, ZHANG Xiao-Guang, HAN En-Shan.Acidities of Cu-[M’]MORand Ag-[M’]MOR (M’=B, Al, Ga, Fe)[J]. Acta Phys. -Chim. Sin., 2009,25(10): 2123-2129
377. ZHANG Mei-Yi, HE Guang-Zhi, DING Cheng-Cheng, CHEN Hao, PAN Gang.Mechanism of Arsenate (V) Adsorption on TiO2 Surfaces[J]. Acta Phys. -Chim. Sin., 2009,25(10): 2034-2038
378. ZHAN Wei-Shen, PAN Shi, LI Yuan-Zuo, CHEN Mao-Du.A Comparison of Indoline Dyes as Photosensitizers in Dye-Sensitized Solar Cells[J]. Acta Phys. -Chim. Sin., 2009,25(10): 2087-2092
379. LUO Shan-Shan, QIU Yong-Qing, LIU Xiao-Dong, LIU Chun-Guang, SU Zhong-Min.Second-Order Nonlinear Optical Properties of a Series of Y-Shaped Organic Molecules with a Thiazole Chromophore[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1867-1873
380. LIANG Jing-Xia, JIA Wen-Hong, ZHANG Cong-Jie, CAO Ze-Xing.Unusual Boron-Carbon Compounds Containing Planar Tetracoordinate and Pentacoordinate Carbons[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1847-1852
381. ZHANG Fu-Lan, LI Lai-Cai, TIAN An-Min.Ethane Adsorption and Decomposition on Ni(111) Surface[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1883-1889
382. ZHANG Zi-Ying, YANG De-Lin, LIU Yun-Hu, CAO Hai-Bin, SHAO Jian-Xin, JING Qun.Electronic Structures and Optical Properties of BaTiO3[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1731-1736
383. YANG Xiang-Yan, ZHANG Yi-Heng, DING Lan, WANG Han-Qing.Cytotoxic Activity of a Natural ProductWangzaozin A[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1749-1755
384. YUAN Xian-Rui, SHANG Zhen-Hua, LI Run-Yan, LIU Ying-Hua, CHEN Xiao-Xia, ZHANG Hui-Li, XIU Yong.N—N Rotational Barriers in N’-arylideneacetohydrazide and Molecular Conformation[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1785-1790
385. CHEN Yu-Min, DENG Ke, QIU Xiao-Hui, WANG Chen.Determination of the Adsorption Sites of tert-Butylamine Molecules on a Cu(111) Surface with a Co-Adsorbed CO Monolayer[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1485-1489
386. WU Yang, ZHANG Tian-Tian, YU Ning.Interaction between 1-Ethyl-3-Methyl-Imidazolium Cation and Asparagine Anion[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1689-1696
387. NI Bi-Lian, CAI Ya-Ping, LI Yi, DING Kai-Ning, ZHANG Yong-Fan.Geometries and Electronic Structures for the Adsorption of Li on Si(001) Surface with Different Coverages[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1535-1544
388. JIANG Shi-Yu, TENG Bo-Tao, YUAN Jin-Huan, GUO Xiao-Wei, LUO Meng-Fei.Adsorption and Oxidation of CO over CeO2(111) Surface[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1629-1634
389. LIANG Xiao-Jing, CUI Li, WU De-Yin, TIAN Zhong-Qun.Structures and Vibrational Spectra of Adenine and Protonated Adenine[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1605-1610
390. LU Yue-Mei, GONG Qian-Ming, LIANG Ji.Preparation of Carbon Nanotubes/Activated Carbon Composite Microspheres and Their Application to Adsorption of VB12[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1697-1702
391. XU Si-Chuan, DENG Sheng-Rong, MA Li-Ying, SHI Qiang, GE Mao-Fa, ZHANG Xing-Kang.Active Sites for Retinal Binding to Bovine Rhodopsin[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1290-1296
392. WU Bin, BAI Lu, GONG Qian-Ming, LIANG Ji.Effect of Non-Ionic Surfactants on the Dispersion of Multiwalled Carbon Nanotubes at High Loading in Ethanol[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1065-1069
393. QI Qi, SUN Yue-Ming, HA Yong-Quan.Structures and UV-Vis Absorption Spectra of 1,8-Naphthalimide Derivatives[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1143-1148
394. GE Gui-Xian, TANG Guang-Hui, JING Qun, LUO You-Hua.Interaction of CO with PalladiumClusters Pdn (n=1-8)[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1195-1200
395. SUN Xiu-Liang, HUANG Chong-Pin, ZHANG Jie, CHEN Biao-Hua.Location of Al and Acid Strength of Brφnsted Acid in Beta Zeolite[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1136-1142
396. NI Zhe-Ming, MAO Jiang-Hong, PAN Guo-Xiang, XU Qian, LI Xiao-Nian.Mechanism of Palladium-Catalyzed Methanol Decomposition for Hydrogen Production[J]. Acta Phys. -Chim. Sin., 2009,25(05): 876-882
397. CAO You-Ming, WANG Zhi-Yong, SHI Zu-Jin, GU Zhen-Nan.Preparation and Catalytic Properties of SWNTs-Supported Pd Catalyst[J]. Acta Phys. -Chim. Sin., 2009,25(05): 825-828
398. SU Rong, XUE Wei-Dong, FENG Yong, WANG Jian-Hua, YI Dan.Sensitization Mechanism of Tris(8-hydroxyquinoline)iron (III) on TiO2 Anatase (101) Surface[J]. Acta Phys. -Chim. Sin., 2009,25(05): 947-952
399. TAO Fei-Fei, XU Zheng.Effective Synthesis of Magnetic Metal Nickel Nanotubes[J]. Acta Phys. -Chim. Sin., 2009,25(05): 977-980
400. SUN Ke-Ju, LI Wei-Xue, FENG Zhao-Chi, LI Can.Resonance Raman Spectrumof Fe-AlPO4-5 Zeolite[J]. Acta Phys. -Chim. Sin., 2009,25(04): 606-610
401. TANG Zhi-Yong, HU Yun-Chu, ZHAO Ying, LIU Shu-Bin.Impact of Cyanoethy Groups on Structure and Spectroscopy of a Few Aromatic Amines[J]. Acta Phys. -Chim. Sin., 2009,25(04): 701-706
402. LIU Hai-Yang, LENG Ke, HU Jun, YING Xiao, XU Zhi-Guang, CHANG Chi-Kwong.Effect of Meso-Substituents on β 1H-NMR of A3 Type Corrole[J]. Acta Phys. -Chim. Sin., 2009,25(04): 694-700
403. GU Jia-Fang, LU Chun-Hai, CHEN Wen-Kai, XU Ying, ZHENG Jin-De.Structures and Vibrational Frequencies of Gas Phase and Solvated Uranyl Complexes UO2L 2-n*an (L=F-, CO2-3, NO-3; n=0-6, a=1, 2)[J]. Acta Phys. -Chim. Sin., 2009,25(04): 655-660
404. ZHANG Xu, CHU Wei, CHEN Jian-Jun, DAI Xiao-Yan.Ring-Opening Polymerization of Ethylene Oxide Initiated by Sodium Methoxide[J]. Acta Phys. -Chim. Sin., 2009,25(03): 451-456
405. LIU Shu-Bin.Conceptual Density Functional Theory and Some Recent Developments[J]. Acta Phys. -Chim. Sin., 2009,25(03): 590-600
406. MA Ruo-Biao, FU Yan-Bao, MA Xiao-Hua.Preparation and Electrochemical Performance of Tin-Dioxide Filled Multi-Walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2009,25(03): 441-445
407. ZHAO Xin-Xin, TAO Xiang-Ming, MI Yi-Ming, TAN Ming-Qiu.Total Energy Calculations on the Geometry Structure of Pt/Cu(001)-p(2×2)-O Surface[J]. Acta Phys. -Chim. Sin., 2009,25(03): 567-574
408. WANG Yan; ZENG Xiao-Lan; WANG Ling.Diels-Alder Reactions between Silabenzenes and Dienophiles[J]. Acta Phys. -Chim. Sin., 2009,25(02): 371-376
409. DOU Wen-Ling; XIN Xia; XU Gui-Ying.Dispersion of Carbon Nanotubes by Amphiphilic Molecules[J]. Acta Phys. -Chim. Sin., 2009,25(02): 382-388
410. CUI Ming-Xia; DONG Shi-Hong; WANG Wen-Liang; YIN Shi-Wei; LV Jian.Electronic Structures and Spectroscopic Properties of 4-[(1,2-Diphenyl)-4’-(N,N-diphenyl-4-vinylbenzenamine)] Biphenyl and Its Difluorinated Derivatives[J]. Acta Phys. -Chim. Sin., 2009,25(02): 347-352
411. YOU Xiao-Li; XU Bu-Yi; LI Quan; ZHAO Ke-Qing.Electronic Spectra and Nonlinear Optical Properties of Thiazole Chromophores[J]. Acta Phys. -Chim. Sin., 2009,25(02): 314-318
412. LUO Xiao-Yan; JIA Wen-Hong; ZHANG Cong-Jie.Structure and Electronic Properties of InnNa and InnNa+(n=2-8) Clusters[J]. Acta Phys. -Chim. Sin., 2009,25(02): 261-266
413. LIU Jie-Xiang; WEI Xian; ZHANG Xiao-Guang; WANG Gui-Xiang; HAN En-Shan; WANG Jian-Guo.NOx Adsorption in [Ag]-AlMOR Molecular Sieve[J]. Acta Phys. -Chim. Sin., 2009,25(01): 91-96
414. ZHANG Cai-Rong; WU You-Zhi; CHEN Yu-Hong; CHEN Hong-Shan.Geometries, Electronic Structures and Related Properties of Organic Dye Sensitizers JK16 and JK17[J]. Acta Phys. -Chim. Sin., 2009,25(01): 53-60
415. ZHANG Fu-Chun; ZHANG Zhi-Yong; ZHANG Wei-Hu; YAN Jun-Feng; YUN Jiang-Ni.Electronic Structure of PbxSr1-xTiO3[J]. Acta Phys. -Chim. Sin., 2009,25(01): 61-66
416. YU Yan-Chun; XIAO He-Ming.Synthesis, Structure and Hydration of Sodium Dioleyl Sulfosuccinate[J]. Acta Phys. -Chim. Sin., 2009,25(01): 30-34
417. LI Hui-Xue; WANG Xiao-Feng; DONG Xiao-Ning; YUAN Kun; ZHU Yuan-Cheng; XIAO Tai.Structures and Properties of Nicotinic Acid Dimer[J]. Acta Phys. -Chim. Sin., 2009,25(01): 161-168
418. HUA Zheng-He; LI Dong; FU Hao.Sol-Gel Template Synthesis and Characterization of Magnetoelectric CoFe2O4/BaTiO3 Nanotubes[J]. Acta Phys. -Chim. Sin., 2009,25(01): 145-149
419. TANG Yu-Xin, TAO Jie, ZHANG Yan-Yan, WU Tao, TAO Hai-Jun, BAO Zu-Guo.Preparation and Characterization of TiO2 Nanotube Arrays via Anodization of Titanium Films Deposited on FTO Conducting Glass at Room Temperature[J]. Acta Phys. -Chim. Sin., 2008,24(12): 2191-2197
420. ZHU Yu-Zhen; WANG Sheng; WEI Xian-Long; DING Li; ZHANG Zhi-Yong; LIANG Xue-Lei; CHEN Qing; PENG Lian-Mao.Frequency Response of SWCNT Field-Effect Transistors with MWCNT Interconnects[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2122-2127
421. WANG Xiao-Lu; WAN Hui; GUAN Guo-Feng.Structure and Interaction of Ion-Pairs of [EPy]Cl and [EPy]Br in Gas and Liquid Phases[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2077-2082
422. MAO Jiang-Hong; NI Zhe-Ming; PAN Guo-Xiang; XU Qian.Mechanism of the Copper-Catalyzed Water Gas Shift Reaction[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2059-2064
423. JIANG Shi-Yu; TENG Bo-Tao; LU Ji-Qing; LIU Xue-Song; YANG Pei-Fang; YANG Fei-Yong; LUO Meng-Fei.A Density Functional Theory Study of Formaldehyde Adsorption on CeO2(111) Surface[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2025-2031
424. LI Lai-Cai; WANG Yi-Wei; TIAN An-Min.Adsorption of Methanol on the Pt-Mo(111)/C Surface[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2013-2018
425. ZHENG Jin-De; LU Chun-Hai; SUN Bao-Zhen; CHEN Wen-Kai.Adsorption and Dissociation of N2 Molecule on UO(100) Surface[J]. Acta Phys. -Chim. Sin., 2008,24(11): 1995-1999
426. CHEN Xi-Liang; MA Ming-Wang; YANG Xiao-Min; YANG Kang; JI Te; WU Sheng-Wei; ZHU Zhi-Yong.Electrical and Optical Properties of MWNTs/HDPE Composites in THz Region[J]. Acta Phys. -Chim. Sin., 2008,24(11): 1969-1974
427. ZHANG Wei; CUI Xiao-Li; JIANG Zhi-Yu.Effect of Composite Modes on Photoelectrochemical Properties of MWCNTs/TiO2 Nanocomposite Films[J]. Acta Phys. -Chim. Sin., 2008,24(11): 1975-1980
428. WEI Hong-Yuan; LUO Shun-Zhong; LIU Guo-Ping; XIONG Xiao-Ling; SONG Hong-Tao.Hydrogen Diffusion Behavior in Perfect δ-Pu Metal[J]. Acta Phys. -Chim. Sin., 2008,24(11): 1964-1968
429. YIN Yu-Xin; JIN Zheng-Guo; TAN Xin; HOU Feng; ZHAO Lin.Effect of Anions on the Electrochemical Formation of TiO2 Nanotube Arrays in a Glycerol Based Electrolyte[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2133-2138
430. HU Yan-Fei; KONG Fan-Jie; ZHOU Chun.Structures and Thermodynamic Properties of 3C-SiC Compound[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1845-1849
431. GAN Qin-Fang; NI Bi-Lian; LI Yi; DING Kai-Ning; ZHANG Yong-Fan.Geometries and Electronic Structures for the Adsorption of CO Molecule on TiC(001) Surface[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1850-1858
432. CHEN Xin; LI Ying; JIANG Qing.Electronic Structures and UV-Vis Spectra of Several (C^N)PtIIQ Type Complexes[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1797-1802
433. LI Zong-Bao; YAO Kai-Lun; LIU Zu-Li.Electronic Structure and Ferromagnetic Properties of Organic-Inorganic Hybrid Compound [Cu(μ-cbdca)(H2O)]n[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1681-1684
434. HUANG Yong-Li; LIU Zhi-Ping.DFT Study on Hydrogen and Sulfur Adsorption on (111) Surface of Pd, Cu, Au, and PdAu, PdCu Alloys[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1662-1668
435. ZHANG Shi-Guo; ZHANG Li-Chao; YANG Pin.Structures and Properties of Cytosine…CO Complex[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1637-1642
436. ZHOU Tao, XU Can, ZHANG Xiao-Fang, CHENG Chuan, CHEN Liang, XU Ying.A Simple Theoretical Model for Ring and Nanotube Radial Breathing Mode[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1579-1583
437. LUO Shi-Xia; ZHANG Xiao-Yi; ZHANG Si-Ting; ZHU Huai-Wu; HU Ji-Wei; WEI Gang.Influence of Substituents on Electron Transport through the Single-Molecule Mercapto-Azobenzene[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1471-1476
438. MA Wen-Jin; ZHANG Xian-Ming; XU Xiao-Hong; WANG Yan-Bin; WU Hai-Shun.Structure Characteristics and Stability of CnAl2 (n=1-10) Clusters[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1477-1480
439. ZHANG Cai-Rong, CHEN Hong-Shan, CHEN Yu-Hong, WEI Zhi-Qiang, PU Zhong-Sheng.DFT Study on Methanofullerene Derivative [6,6]-Phenyl-C61 Butyric Acid Methyl Ester[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1353-1358
440. LI Hai-Long; LUO Wu-Lin; CHEN Tao; TIAN Wen-Yu; SUN Mao; LI Chun; ZHU Di; LIU Ran-Ran; ZHAO Yu-Liang; LIU Chun-Li.Preparation and Photocatalytic Performance of Titania Nanotubes Loaded with Ag Nanoparticles[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1383-1386
441. LEE Shih-Fong, CHANG Yung-Ping, LEE Li-Ying.Enhancement of Field Emission Characteristics for Multi-Walled Carbon Nanotubes Treated with a Mixed Solution of Chromic Trioxide and Nitric Acid[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1411-1416
442. ZHANG Xu-Zhi; JIAO Kui.Single-Walled Carbon Nanotubes and RoomTemperature Ionic Liquid Composite Film Modified Electrode[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1439-1444
443. WANG Yun-Hai; LIU Yong-Dong; LUO Yun-Jing; ZHONG Ru-Gang.Mechanisms of the Reaction of Peroxynitrous Acid and Tyrosine[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1207-1213
444. SUN Hui-Qing; DING Shao-Feng; WANG Yu-Tian; DENG Bei; FAN Guang-Han.Structural, Energetical and Electronic Properties of CdO and CdxZn1-xO Compounds[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1233-1238
445. CAO Ling-Chao; LIU Yun-Qi; WANG Yu; WEI Da-Cheng; FU Lei; HU Ping-An; ZHANG Hong-Liang; HUANG Li-Ping; YU Gui.Wet Purification of Aligned Carbon Nanotube Arrays and Its Impact on the Morphology of the Carbon Nanotube Arrays[J]. Acta Phys. -Chim. Sin., 2008,24(06): 951-954
446. TANG Yu-Xin; TAO Jie; TAO Hai-Jun; WU Tao; WANG Ling; ZHANG Yan-Yan; LI Zhuan-Li; TIAN Xi-Lin.Fabrication and Characterization for Transparent Electrodes of TiO2 Nanotube Arrays on Fluorine-Doped Tin Oxide-Coated Glass[J]. Acta Phys. -Chim. Sin., 2008,24(06): 1120-1126
447. XU Qian; NI Zhe-Ming; PAN Guo-Xiang; CHEN Li-Tao; LIU Ting.Super-Molecular Interaction between Cl- and H2O within the Restricted Space of Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2008,24(04): 601-606
448. FENG Cai-Xia; WANG Yan; JIN Zhen-Sheng; ZHANG Shun-Li.Kinetic Behavior of Visible Light Photocatalytic Oxidation of Propylene for N-Doped Nano-TiO2[J]. Acta Phys. -Chim. Sin., 2008,24(04): 633-638
449. WU Yang; FENG Lu; ZHANG Xiang-Dong.Theoretical Calculation on the C6H5—H…X Hydrogen-bonded Complexes[J]. Acta Phys. -Chim. Sin., 2008,24(04): 653-658
450. LI Zhi-Wei; LI Xiang-Zhi; XU Xian-Fang; ZHAO Cun-Yuan; CHEN Liu-Ping.Structural and Spectroscopic Properties of NaP4 and Its Anions and Cations[J]. Acta Phys. -Chim. Sin., 2008,24(04): 670-674
451. WANG Yi-Lei; WU Guo-Shi.Electronic Structure Characteristics of ESIPT and TICT Fluorescence Emissions and Calculations of Emitting Energies[J]. Acta Phys. -Chim. Sin., 2008,24(04): 552-560
452. CHEN Dai-Wu; XIE Qing-Ji; JIANG Xue-Qin; YAO Shou-Zhuo.Interactions of Quercetin with Casein and Bovine Serum Albumin as well as Effects of Coexisting Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2008,24(03): 379-387
453. MIAO Yue; YUAN Hong-Kuan; CHEN Hong.Electronic Structure and Magnetism of Double Perovskite Sr2-xLaxCrReO6[J]. Acta Phys. -Chim. Sin., 2008,24(03): 448-452
454. CHEN Yu-Ting; ZHANG Hai-Yan; ZHANG Guo-Qing; CHEN Yi-Ming; ZHU Qing-Feng.Influence of Addition of Carbon Nanotubes in the Hydrogen Storage Alloy Electrode on the Performance of SC High Power Batteries[J]. Acta Phys. -Chim. Sin., 2008,24(03): 527-532
455. BEI Yi-Ling; ZHU Chen-Fu; LIU Qing-Yang; QI Gui-Bin.Addition Reaction of Pentacoordinated Silicon Compounds by R3SiX with NR’3[J]. Acta Phys. -Chim. Sin., 2008,24(02): 217-222
456. JI Yong-Jun; WU Hai-Shun; ZHANG Fu-Qiang; JIA Jian-Feng.Structure and Stability of (MN)nHm (M=Ga, In; n=1-4; m=1, 2) Clusters[J]. Acta Phys. -Chim. Sin., 2008,24(02): 257-262
457. ZHI Shao-Feng; ZHANG Zhen-Hua; QIU Ming; PENG Jing-Cui.Electronic Velocity and Effective Mass of the Single-walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2008,24(02): 275-280
458. WANG Chao-Jie; CAI Yue-Piao.Interaction of Iron Atomand Nitrogen Molecule——the Side-on Structure[J]. Acta Phys. -Chim. Sin., 2008,24(02): 289-295
459. XU Bo-Hua; LI Lai-Cai; WANG Xin; TIAN An-Min.Theoretical Study on the Structures and Stabilities of the N5H5 Isomers[J]. Acta Phys. -Chim. Sin., 2008,24(01): 67-73
460. CHEN Kun; FAN Guang-Han; ZHANG Yong; DING Shao-Feng.First-Principle Calculation of Nitrogen-Doped p-Type ZnO[J]. Acta Phys. -Chim. Sin., 2008,24(01): 61-66
461. WU Yu-Cheng; LIU Xiao-Lu; YE Min; XIE Ting; HUANG Xin-Min.Preparation and Properties of Carbon Nanotube-TiO2 Nanocomposites[J]. Acta Phys. -Chim. Sin., 2008,24(01): 97-102
462. XU Xing-Zhong; YANG Jian-Feng; LI Xiao-Nian; YAN Xin-Huan.Hydrogenation of o-chloronitrobenzene over CNTs Supported Pt Catalyst Obtained by Laser Vaporization of Bulk Metal[J]. Acta Phys. -Chim. Sin., 2008,24(01): 121-126
463. WANG Yi-Lei; WU Guo-Shi.Proper Choice of XC Functionals and Calculations of Fluorescence-Emitting Energies for Coumarin Derivatives[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1831-1838
464. LI Jing; YUN Hong; LIN Chang-Jian.The Fe-doped TiO2 Nanotube Arrays as a Photoanode for Cathodic Protection of Stainless Steel[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1886-1892
465. LI Lei; SANG Ge; ZHANG Peng-Cheng; JIANG Gang.Study of α-Al2O3 about Hydrogen Permeation Resistance and Micromechanism[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1912-1916
466. XU Can; ZHANG Xiao-Fang; CHEN Liang; ZHU Li-Fang; ZHANG Rong-Jun.Theoretical Study on the Even-Odd Oscillation of the Vibration Modes of the Silica Nanowire[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1733-1737
467. LI Hui-Xue; TANG Hui-An; YANG Sheng; XIAO Tai.Properties at the Ground State and Excited State of 3-(3’-pyridyl)-6-aryl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole Derivatives[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1781-1786
468. JIANG Yong; CHU Wei; JIANG Cheng-Fa; WANG Yao-Hong.A DFT Study of Pdn(n=1-7) Clusters and Their Interactions with CH4 Molecule[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1723-1727
469. YIN Yu-Xin; JIN Zheng-Guo; HOU Feng.Fabrication and Properties of TiO2 Nanotube Arrays Using Glycerol-DMSO-H2O Electrolyte[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1797-1802
470. ZHANG Li-Min; FAN Guang-Han; DING Shao-Feng.First-principles Calculation of AlN Electronic Structure by Doping with Mg and Zn[J]. Acta Phys. -Chim. Sin., 2007,23(10): 1498-1502
471. WANG Luo-Xin; LIU Yong; TUO Xin-Lin; LI Song-Nian; WANG Xiao-Gong.Effect of H+ and NH+4 on the N—NO2 Bond Dissociation Energy of HMX[J]. Acta Phys. -Chim. Sin., 2007,23(10): 1560-1564
472. LIN Ying-Wu; WANG Zhong-Hua; NIE Chang-Ming; NI Feng-Yun.Effects of Substitution on the Structure and Property of Porphin[J]. Acta Phys. -Chim. Sin., 2007,23(10): 1594-1598
473. LIANG Yun-Xiao; SHUI Miao; LI Rong-Sheng.Structures and Stabilities of Boron/Nitrogen-Doped Fullerene C20[J]. Acta Phys. -Chim. Sin., 2007,23(10): 1647-1651
474. YE Chao; GONG Qian-Ming; LU Fang-Ping; LIANG Ji.Adsorption of Middle Molecular Weight Toxins on Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1321-1324
475. QIU Han-Xun; WANG Zhi-Yong; SHI Zu-Jin; GU Zhen-Nan; QIU Jie-Shan.Synthesis and Infrared Spectroscopy Characterization of Ferrocene-filled Double-walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1451-1453
476. LI Guo-Hua; TIAN Wei; TANG Jun-Yan; MA Chun-An.Preparation and Electrocatalytic Property for Methanol Oxidation of WC/CNT Nanocomposite[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1370-1374
477. FU Jian-Liang; ZHANG Xing-Wang; LEI Le-Cheng.Fe-modified Multi-walled Carbon Nanotube Electrode for Production of Hydrogen Peroxide[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1157-1162
478. PAN Guo-Xiang; NI Zhe-Ming; LI Xiao-Nian.Supra-molecular Interaction between Host Layer and Guest CO2-3, H2O of Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1195-1200
479. CHEN Xin; ZHANG Yi-Li; SU Yu-Hua; MENG Wen-Hua; XIE Qing-Ji; YAO Shou-Zhuo.EQCM Studies on Enzymatic Specific Activities of Glucose Oxidase Adsorbed on Au-electroplated and Carbon Nanotubes-modified Au Electrodes[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1201-1206
480. ZHENG Hai-Tao; LI Yong-Liang; LIANG Jian-Ying; SHEN Pei-Kang.Methanol Oxidation on Pd-based Electrocatalysts[J]. Acta Phys. -Chim. Sin., 2007,23(07): 993-996
481. LIU Hai-Feng; YAN Hua; LIU Zhi-Yong; WANG Shao-Long.Theoretical Study on the Reaction of Chlorine Trifluoride with Water by Density Functional Theory[J]. Acta Phys. -Chim. Sin., 2007,23(07): 1099-1104
482. Yuan Jian-Hui; Cheng Yu-Min.Effects of the Grafted Carboxyl on the Elastic Properties of Single-walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(06): 889-894
483. HU Hai-Quan; LI Heng-Shuai; CUI Shou-Xin; WANG Wen-Jun.Electronic Structure and Magnetic Properties of Fe/Cr Superlattices[J]. Acta Phys. -Chim. Sin., 2007,23(06): 846-850
484. WANG Yan-Bin; MA Wen-Jin; ZHANG Jing; WU Hai-Shun.Structure Characteristics and Stability of CnAl (n=2-11) Clusters[J]. Acta Phys. -Chim. Sin., 2007,23(06): 873-876
485. YANG Zuo-Yin; ZHOU Hong-Wei; ZHANG Jing-Chang; CAO Wei-Liang.Relationship between Al/Mg Ratio and the Stability of Single-layer Hydrotalcite[J]. Acta Phys. -Chim. Sin., 2007,23(06): 795-800
486. ZHANG Jing; WANG Yan-Bin; WU Hai-Shun.Structure and Stability of the (BCO)+n (n=1-12) Clusters[J]. Acta Phys. -Chim. Sin., 2007,23(05): 733-737
487. LI Si-Dian; GUO Qiao-Ling; MIAO Chang-Qing; REN Guang-Ming.Investigation on Transition-Metal Hydrometal Complexes MnHnC with Planar Coordinate Carbon Centers by Density Functional Theory[J]. Acta Phys. -Chim. Sin., 2007,23(05): 743-745
488. WANG Rui; XU Hua-Ming; LI Dan; LIANG Ji.Growth of Single-walled Carbon Nanotubes on the Given Locations for AFM Tips[J]. Acta Phys. -Chim. Sin., 2007,23(04): 565-568
489. TIAN Meng-Kui; JIANG Li; SHANGGUAN Wen-Feng; WANG Shi-Jie2;OUYANG Zi-Yuan.Electronic Structures of the Visible-light Driven Photocatalysts K4Ce2Ta10O30, K4Ce2Nb10O30 and Their Solid Solution Compounds[J]. Acta Phys. -Chim. Sin., 2007,23(04): 466-472
490. CAI Jian-Qiu;TAO Xiang-Ming;TAN Ming-Qiu.Atomic Geometry and Adsorption of Cu(100)/H Surface[J]. Acta Phys. -Chim. Sin., 2007,23(03): 355-360
491. ZHONG Qi-Ling;ZHANG Bing;DING Yue-Min;RAO Gui-Shi;WANG Guo-Fu;JIANG Yu-Xiong;REN Bin;TIAN Zhong-Qun.Microwave Radiation-Assisted Synthesis of Pt-CNTs[J]. Acta Phys. -Chim. Sin., 2007,23(03): 429-432
492. MA Wen-Jin;WANG Yan-Bin;ZHANG Jing;WU Hai-Shun .Structure Characteristics and Stability of BmN (m=2~9) Clusters[J]. Acta Phys. -Chim. Sin., 2007,23(02): 169-172
493. MENG Xian-Mei;HUANG Xiao-Ming;WANG Chuan-Kui .Two-photon Absorption Properties of Heteroatomic Ring Molecules[J]. Acta Phys. -Chim. Sin., 2007,23(02): 228-231
494. YANG Min-Hao;LIANG Tao;PENG Yu-Cai;CHEN Qing.Synthesis and Characterization of a Nanocomplex of ZnO Nanoparticles Attached to Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(02): 145-151
495. LÜ Ya-Fen;YIN Ya-Jing;WU Ping;CAI Chen-Xin.Direct Electrochemistry and Bioelectrocatalysis of Myoglobin at a Carbon Nanotube-Modified Electrode[J]. Acta Phys. -Chim. Sin., 2007,23(01): 5-11
496. YANG Zhen;XU Zhi-Jun;YANG Xiao-Ning.Structures of Binary Hard-core Repulsive Yukawa Mixtures Near Solid Surfaces from DFT[J]. Acta Phys. -Chim. Sin., 2006,22(12): 1460-1465
497. CHENG Xiang-Long;WU Ai-Hua;SHEN Xing-Hai;HE Yong-Ke.The Formation of Cyclodextrin Nanotube Induced by POPOP Molecule[J]. Acta Phys. -Chim. Sin., 2006,22(12): 1466-1472
498. ZHANG Shu-Qiang;WANG Ya-Qiong;ZHENG Xu-Ming.Density Functional Theory Investigation of the Photoisomerization Reaction of Nitroalkanes and Nirroaromatic Compounds[J]. Acta Phys. -Chim. Sin., 2006,22(12): 1489-1494
499. QIU Kai-Dong;LI Wei-Bin.Adsorption of Hexavalent Chromium Ions on Multi-wall Carbon Nanotubes in Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2006,22(12): 1542-1546
500. LI Quan;LI De-Hua;SHENG Yong;ZHU Zheng-He.Structure and Stability of PdYn±(n=0, 1, 2, 3) Molecular Ions[J]. Acta Phys. -Chim. Sin., 2006,22(12): 1516-1519
501. LI Rui-Fang;SHANG Zhen-Feng;XU Xiu-Fang;WANG Gui-Chang .Theoretical Studies on the Growth Mechanism of Armchair Single-walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2006,22(11): 1388-1392
502. WANG Yun-Hai;LIU Yong-Dong;LUO Yun-Jing;ZHANG Wei;ZHONG Ru-Gang.Theoretical Study on the Mechanisms of the Reaction of Peroxynitrous Acid and Phenol[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1266-1271
503. BIAN Cheng-Xiang;XU Xue-Cheng;YU Wei;CHEN Yi-Wei;CHENG Rong-Ming;SHI Yan;LI Xiang-Mei;JIN Sheng-Song.Study on Conductive Mechanism of Composites―Sulfonated Polyphenylacetylene / Multiwalled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1185-1190
504. GUO Cai-Hong;JIA Jian-Feng;GUO Ling;WU Hai-Shun.Study on the Structure and Property of the Neutral GaxPy (x+y=8) and Anionic Gallium Phosphide Clusters Using DFT[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1253-1259
505. CHU Dao-Bao;YIN Xiao-Juan;FENG De-Xiang;LIN Hua-Shui;TIAN Zhao-Wu.Electrocatalytic Oxidation of Ethanol on Pt/nanoTiO2-CNT Complex Catalysts[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1238-1242
506. SUN Bao-Zhen;CHEN Wen-Kai;XU Xiang-Lan.Theoretical Studies of the Adsorption and Dissociation of Two NO Molecules on Cu2O(111) Surface[J]. Acta Phys. -Chim. Sin., 2006,22(09): 1126-1131
507. ZHANG Hua;CHEN Xiao-Hua;ZHANG Zhen-Hua;QIU Ming.Effect of Grafted Hydroxyl on the Electronic Structure of Finite-length Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(09): 1101-1105
508. TIAN Xin-Xin;ZHANG Fu-Qiang;FENG Rui-Juan;WU Hai-Shun.Stability of B28N28Alternant Cages and Their Dependence on Bonds between Squares[J]. Acta Phys. -Chim. Sin., 2006,22(08): 937-941
509. JIN Chun;JIA Yin-Juan;Wang Bao-Jun;FAN Bin-Bin;MA Jing-Hong;LI Rui-Feng.Epoxidation of Styrene Catalyzed by Zeolite-encapsulated Symmetrical and Unsymmetrical Co(II)Salen-type Schiff Base Complexes[J]. Acta Phys. -Chim. Sin., 2006,22(08): 947-952
510. QIU Yong-Qing;LIU Chun-Guang;CHEN Hui;SU Zhong-Min;YANG Guo-Chun;WANG Rong-Shun.DFT Study on Second-order Nonlinear Optical Properties of a Series of Three-dimensional Cobalt(II) Metal Complexes[J]. Acta Phys. -Chim. Sin., 2006,22(07): 836-839
511. ZHANG Zhi-Qiang;QU Yi-Xin;REN Hui.Density Functional Theory Studies on Ethanol Physisorption on Ultrafine Silica[J]. Acta Phys. -Chim. Sin., 2006,22(07): 820-825
512. WANG Li-Jiang;ZHANG Cong-Jie.Structure and Stability of 2Cn+(n=1~9) Clusters[J]. Acta Phys. -Chim. Sin., 2006,22(06): 726-731
513. ZHANG Xiao-Qing;JIA Jian-Feng;WU Hai-Shun;PEI Xiao-Qin.Theory Investigation of (BCO)n(n=1~12)[J]. Acta Phys. -Chim. Sin., 2006,22(06): 684-690
514. ZHOU Long-Mei;LIU Hong-Ying; LI Feng-Sheng.Y2O3 Nanoparticle/Carbon Nanotube Composite: Preparation and Catalytic Performance for Decomposition of Ammonium Perchlorate[J]. Acta Phys. -Chim. Sin., 2006,22(05): 627-630
515. YI Shuang-Ping;ZHANG Hai-Yan;PEI Lei;HU Shou-Le;ZENG Guo-Xun;CHEN Jin.Effect of CNTs Treated at Different Temperatures in Nitrogen Ambient on the Electrochemical Properties of CNTs-LaNi5 Electrodes[J]. Acta Phys. -Chim. Sin., 2006,22(04): 436-440
516. XU Can;CAO Juan;ZHU Li-Fang;GAO Chen-Yang.Stability and Size Effect of Silica Nanotube[J]. Acta Phys. -Chim. Sin., 2006,22(04): 451-455
517. CHEN Jin-Can;LI Jun;WU Wen-Juan;ZHENG Kang-Cheng.Structures and Anticancer Activities of a Series of Isomeric Complexes Ru(azpy))2Cl)2[J]. Acta Phys. -Chim. Sin., 2006,22(04): 391-396
518. CHU Dao-Bao; ZHANG Li-Yan; ZHANG Jin-Hua; ZHANG Xiu-Mei; YIN Xiao-Juan.Heterogeneous Electrocatalytic Reduction of Furfural on Nanocrystalline TiO2-CNT Complex Film Electrode in DMF Solution[J]. Acta Phys. -Chim. Sin., 2006,22(03): 373-377
519. LÜ Ling-Ling; WANG Yong-Cheng.Theoretical Studies on the Reaction Mechanism of Au+(1S, 3D) and N2O(1Σ+)[J]. Acta Phys. -Chim. Sin., 2006,22(03): 265-269
520. LI Zhi; GONG Qian-Ming; LIANG Ji; HUANG Qi-Zhong; HUANG Bai-Yun.Study on Oxidation Properties of New ACNT/C Nanocomposites[J]. Acta Phys. -Chim. Sin., 2006,22(03): 316-321
521. ZHANG Zeng-Fu; LUO Guo-Hua; FAN Zhuang-Jun; XIANG Rong; ZHOU Li; WEI Fei.Complex Permittivity and Permeability Spectra of Different Kinds of Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(03): 296-300
522. XU Can; ZHU Li-fang; GAO Chen-yang; CAO Juan.Density Functional Study on Silica Clusters (SiO2)nO2H4[J]. Acta Phys. -Chim. Sin., 2006,22(02): 152-155
523. HUANG Biao; ZHANG Jia-xing; LI Rui; SHEN Zi-yong; HOU Shi-min; ZHAO Xingyu; XUE Zeng-quan; WU Quan-de.First-principles Calculation of the Conductance of the Al-C60-Al Junction[J]. Acta Phys. -Chim. Sin., 2006,22(02): 161-166
524. MA Wen-jin; WU Hai-shun.Structure and Stability of AlmN2 (m=1~8) Clusters[J]. Acta Phys. -Chim. Sin., 2006,22(02): 178-182
525. HAO Yan-Zhong; HAN Wen-Tao.Preparation and Photoelectrochemical Properties of Titanate Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(02): 221-225
526. REN Xin; HUANG Xin-min; ZHANG Hu-hai.Fabrication of Ni-P Nanowire and Nanotube Ordered Arrays by Electroless Deposition[J]. Acta Phys. -Chim. Sin., 2006,22(01): 102-105
527. CHEN Yu; TANG Ya-wen; Kong Ling-yong; LIU Chang-peng; XING Wei; LU Tianhong.Effect of Surface Modification Extent of Carbon Nanotubes on Electrocatalytic Performance of Carbon Nanotubes Supported Pt catalyst[J]. Acta Phys. -Chim. Sin., 2006,22(01): 119-123
528. JIANG Qi; LU Xiao-ying; ZHAO Yong; ZHU Xiao-tong; CAI Yu-dong; QIAN Lan.Effects of Activation Conditions on the Specific Surface Area of Activated Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(01): 43-47
529. LIN Wei; ZHANG Yong-fan; LI Yi; CHEN Yong; LI Jun-qian.First Principle Studies on the Geometry and Electronic Structures of the SnO2(110) Surface[J]. Acta Phys. -Chim. Sin., 2006,22(01): 76-81
530. CAO Mei-juan; CHEN Wen-kai; LIU Shu-hong; XU Ying; LI Jun-qian.A Density Functional Theoretical Study on the Chemical Adsorption of Benzene on Au(100) Surface[J]. Acta Phys. -Chim. Sin., 2006,22(01): 11-15
531. ZHANG Ying-Hui;RUAN Wen-Juan;WU Yang.DFT Study on the Geometric Structure and Raman Spectrum of meso-monophenylporphyrin (H2MPP)[J]. Acta Phys. -Chim. Sin., 2005,21(12): 1390-1394
532. FANG Ran;GENG Zhi-Yuan;WANG Yong-Cheng;ZHANG Xing-Hui;WANG Dong-Mei;GAO Li-Guo;CHEN Xiao-Xia.Quantum Chemistry Study on the Abstraction Reaction of Germylene and Its Substituted Species with Thiirane[J]. Acta Phys. -Chim. Sin., 2005,21(12): 1331-1336
533. ZHANG Cai-Rong;CHEN Hong-Shan;CHEN Yu-Hong;FENG Wang-Jun;LI Wei-Xue;XU Guang-Ji;KOU Sheng-Zhong.Density Functional Theory Study on the Ring-like Structure and Properties of Al8PCluster[J]. Acta Phys. -Chim. Sin., 2005,21(12): 1368-1372
534. ZHU Meng-Qiang;PAN Gang;LIU Tao;LI Xian-Liang;YANG Yu-Huan;LI Wei;LI Jin;HU Tian-Dou;WU Zi-Yu;XIE Ya-Ning.Zn(II) Adsorption and Precipitation on γ-MnOOH-Water Interfaces DFT and XANES Calculation[J]. Acta Phys. -Chim. Sin., 2005,21(12): 1378-1383
535. ZHU Yu;JIANG Gang;YU Gui-Feng;ZHU Zheng-He;WANG He-Yi;FU Yi-Bei.Adsorption Behavior of N2 on Pd Surface[J]. Acta Phys. -Chim. Sin., 2005,21(12): 1343-1346
536. LI Juan; FANG Zheng-ping; WANG Jian-guo; GU Aijuan; TONG Li-fang; LIU Fu.Microstructure Transformation of Multi-walled Carbon Nanotubes during Diamine Grafting Process[J]. Acta Phys. -Chim. Sin., 2005,21(11): 1244-1248
537. SONG Xu-chun; ZHENG Yi-fan; YIN Hao-yong; CAO Guang-sheng.Synthesis and Characterization of Transition Element Substituted Titanate Nanotubes[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1076-1080
538. CHEN Can-hui; LI Hong; ZHU Wei; ZHANG Quan-xin.The Electrochemical Behavior of Ferrocene and Its Complex with DNA[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1067-1072
539. XU Bin; WU Feng; CHEN Ren-jie; CHEN Shi; WANG Guo-qing.Capacitance Characteristics of Carbon Nanotubes in Room Temperature Molten Salt Electrolyte[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1164-1168
540. ZHOU Xiao-long; CHAI Yang; LI Ping-jian; PAN Guang-hu; SUN Hui; SHEN Ziyong; ZHANG Qi-feng; WU Jin-lei.Fabrication of Nitrogen-doped Multi-walled Carbon Nanotube and Their Field Effect Transistor Properties[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1127-1131
541. GAO Li-guo; WANG Yong-cheng; GENG Zhi-yuan; CHEN Xiao-xia; LÜ Lingling; DAI Guo-liang; WANG Dongmei.Theoretical Study of the Reaction of Sc+ and Ti+ with CS2 in Gas Phase[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1102-1107
542. HU Xing-bang; LI Hao-ran; LIANG Wan-chun; HAN Shi-jun.Explore the Effect Induced by Water in the Proton Transfer Process of 5-fluorouracil[J]. Acta Phys. -Chim. Sin., 2005,21(09): 952-956
543. LI Hui-ying; PU Min; CHEN Biao-hua.DFT Study on Double-bond Isomerization of trans-2-butene Catalyzed by Zeolites[J]. Acta Phys. -Chim. Sin., 2005,21(08): 898-902
544. CHEN Wen-kai; CAO Mei-juan; LIU Shu-hong; XU Ying; LI Yi; LI Junqian.A Density Functional Study of Benzene Adsorption on Cu(100) Surface[J]. Acta Phys. -Chim. Sin., 2005,21(08): 903-908
545. HE Qin; ZHOU Li-xin.Theoretical Study on the Interaction of Platinum Compounds with DNA Base Pairs[J]. Acta Phys. -Chim. Sin., 2005,21(08): 846-851
546. WANG Yong; LI Hao-Ran; WU Tao; WANG Cong-Min; HAN Shi-Jun.Reaction Mechanism Study for the Synthesis of Alkylimidazolium-based Halide Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2005,21(05): 517-522
547. PU Min; CHEN Biao-Hua; LI Hui-Ying; LIU Kun-Hui.DFT Studies on Reaction Mechanism of the Double Bond Isomerization of Butene Catalyzed by 1-ethyl-3-methyl-imidazolium of the Ionic Liquid (II)[J]. Acta Phys. -Chim. Sin., 2005,21(04): 383-387
548. WANG Li-Jiang; ZHANG Cong-Jie; WU Hai-Shun.Structure, Stability and Spectra of CnBδ(δ=0, ±1; n=1~6) Clusters[J]. Acta Phys. -Chim. Sin., 2005,21(03): 244-249
549. WANG Xiao-Feng; WANG Da-Zhi; LIANG Ji.Pseudo-capacitance of Ultrafine Nickel Hydroxide Prepared by Sol-gel Method[J]. Acta Phys. -Chim. Sin., 2005,21(02): 117-122
550. ZHOU Jun-Hong;ZENG Yan-Li;MENG Ling-Peng;ZHENG Shi-Jun.Reaction Mechanisms and Topological Studies of Electron Density on the Reaction of ClO and ClO Radical[J]. Acta Phys. -Chim. Sin., 2005,21(02): 166-172
551. CHEN Ren-Jie;WU Feng.Spectroscopic Investigation of New Binary Molten Salt Electrolytes Based on LiClO4 with Acetamide[J]. Acta Phys. -Chim. Sin., 2005,21(02): 177-181
552. LI Yu-Ping;CAO Hong-Bin;ZHANG Yi.Direct Electrochemistry of Hemoglobin Immobilized on Carbon Paste Electrode Modified by Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2005,21(02): 187-181
553. WU Wen-Juan;LAI Rong;ZHENG Kang-Cheng;YUN Feng-Cun.Quantitative Structure-Activity Relationship of Indolo[1,2-b]quinazoline Derivatives with Antitumor Activity[J]. Acta Phys. -Chim. Sin., 2005,21(01): 28-32
554. LI Quan;HUANG Fang-Qian.The Structure and Properties of the Hydrogen Bond between Complex of Pyridazine and Water[J]. Acta Phys. -Chim. Sin., 2005,21(01): 52-56
555. LUO Xiao-Ling;TANG Dian-Yong;LI Ming.Quantum Chemical Investigation of Solvent Effects on Hydroformylation Reaction[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1404-1410
556. Zhang Jing-Lai;Wang Lian-Bin;Wu Wen-Peng; Cao Ze-Xing.Electronic Absorption Spectra of Linear Cluster SC2nS2-(n=1~12)[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1428-1433
557. Geng Zhi-Yuan;Wang Yong-Cheng;Wang Han-Qing.Quantum Chemistry Study on Cycloaddition Reaction of Germylene X2Ge (X=H, CH3, F, Cl, Br) and Ethylene[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1417-1422
558. Li Bao-Zong.Density Functional Theory Calculations on 2-thioxanthine Tautomers[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1455-1458
559. Wang Yong;Li Hao-Ran;Wang Cong-Min;Xu Ying-Jie;Han Shi-Jun.Quantum Chemistry Study on the Cycloaddition Reaction of Dibromocarbene and Formaldehyde[J]. Acta Phys. -Chim. Sin., 2004,20(11): 1339-1344
560. Li Zhong-Hua;Wang Rui;Chen Zhen-Ning;Wei Yong-De;Zhou Bai-Bin.A DFT Study of the Vibrational Frequencies ofα-[XMo12O40]n- Heteropolyanions[J]. Acta Phys. -Chim. Sin., 2004,20(11): 1329-1334
561. Zhu Su-Bing;Sun Si-Xiu;Wei-Wei;Xu Jun-Jian;Li Yan.The Preparation of Nitrogen-doped Carbon Nanotubes from Pyridine[J]. Acta Phys. -Chim. Sin., 2004,20(11): 1320-1323
562. Shi Fu-Qiang;Jiang Xiao-Ming;Xu Zhi-Cheng;An Jing-Yi;Yu Jia-Yong.Theoretical Studies on Pyrrole-HCN Complexes in Gas Phase and in Solution[J]. Acta Phys. -Chim. Sin., 2004,20(11): 1324-1328
563. Huang Xiang-Ping;Lü Hai-Feng;Huang Xin-Tang.A Simple Chemical Method of Opening and Decorating Carbon Nanotubes by Polyvinyl Alcohol[J]. Acta Phys. -Chim. Sin., 2004,20(10): 1242-1244
564. Ren Yan-Liang;Wan Jian;Liu Jun-Jun;Wan Hong-Wen.A Theoretical Comparison on Vertical Excited States of Free-Base Porphin[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1089-1092
565. Wang Yan-Hua;Zou Jian-Wei;Hu Gui-Xiang;Zheng Ke-Wen;Yu Qing-Sen.Theoretical Studies on the Nucleophilic Additions of Mimic Compounds of Pyrroloquinoline Quinone with Ammonia[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1129-1133
566. Wang Yong-Cheng;Dai Guo-Liang;Geng Zhi-Yuan;Lü Ling-Ling;Wang Dong-Mei.A Density Functional Theory (DFT) Study on the Reaction of Ozone with Ethylene Radicals[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1071-1077
567. Lai Yue-Kun;Sun Lan;Zuo Juan;Lin Chang-Jian.Electrochemical Fabrication and Formation Mechanism of TiO2 Nanotube Arrays on Metallic Titanium Surface[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1063-1066
568. Feng Xue-Jun;Li Qian-Shu.Theoretical Studies on Perfluoroadamantane and Its Radicals[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1172-1174
569. Wang Fan;Li Le-Min.Relativistic Density Functional Computational Methods with High Accuracy[J]. Acta Phys. -Chim. Sin., 2004,20(08S): 966-973
570. Pu Min;Liu Kun-Hui;Li Hui-Ying;Chen Biao-Hua.DFT Studies on Reaction Mechanism of the Double Bond Isomerization of Butene Catalyzed by 1-ethyl-3-methyl-lmidazolium of the Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2004,20(08): 826-830
571. Wang Hai-Fang;Deng Xiao-Yong;Wang Jing;Gao Xing-Fa;Xing Geng-Mei;Shi Zu-Jin;Gu Zhen-Nan;Liu Yuan-Fang;Zhao Yu-Liang.XPS Study of C-I Covalent Bond on Single-walled Carbon Nanotubes (SWNTs)[J]. Acta Phys. -Chim. Sin., 2004,20(07): 673-675
572. Cao Xiao-Long;Guo Li.Vibrational Mode Analysis for the Multi-channel Reactions of O(3P) with CH2F[J]. Acta Phys. -Chim. Sin., 2004,20(06): 642-646
573. Dong Ping;Zhou Jian-Zhang;Xi Yan-Yan;Cai Cheng-Dong;Zhang Yan;Zou Xu-Dong;Huang Huai-Guo;Wu Ling-Ling;Lin Zhong-Hua.The Growth Mechanism of Eletrosynthesized Polyaniline Nanotubules in Alumina Template[J]. Acta Phys. -Chim. Sin., 2004,20(05): 454-458
574. Jiang Qi;Lu Xiao-Ying;Zhao Yong;Yu Zuo-Long.Effect of Microstructure’s Change on Electrochemical Capacitance of Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2004,20(05): 546-549
575. Li Bao-Zong.Density Functional Theory Calculations of 6-thioxanthine Tautomers[J]. Acta Phys. -Chim. Sin., 2004,20(05): 503-506
576. Zhang Qi-Feng;Yu Jie;Song Jiao-Hua;Zhang Geng-Min;Zhang Zhao-Xiang;Xue Zeng-Quan;Wu Jin-Lei.Fabrication of Aligned Carbon Nanotubes by a Vapor-phase Deposition Technique and Their Field Emission Properties[J]. Acta Phys. -Chim. Sin., 2004,20(04): 409-413
577. Li Huan-Jun;Guan Lun-Hui;Shi Zu-Jin;Gu Zhen-Nan.Synthesis and Characterization of C60@SWNTs[J]. Acta Phys. -Chim. Sin., 2004,20(04): 373-376
578. Deng Mei-Gen;Zhang Zhi-An;Hu Yong-Da;Wang Bin-Hua;Yang Bang-Chao.Effect of Activation and Surface Modification on the Properties of Carbon Nanotubes Supercapacitors[J]. Acta Phys. -Chim. Sin., 2004,20(04): 432-435
579. Wei Jin-Quan;Jiang Bin;Li Yan-Hui;Wu De-Hai.Preparation and Structure of Boron Carbide Nanowires[J]. Acta Phys. -Chim. Sin., 2004,20(03): 256-259
580. Zhu Hai-Bin;Li Zhen-Hua;Liu Zi-Yang;Wang Feng-Fei;Wang Xin-Qing;Wang-Miao.Synthesis of Carbon Nanotubes by Decomposing Alcohol[J]. Acta Phys. -Chim. Sin., 2004,20(02): 191-193
581. Niu Jia-Li;Zou Hong-Ling;Zhang Jin;Liu Zhong-Fan.Tracing the Chemical Oxidation Process of Single-walled Carbon Nanotubes by Silver Nanoparticles[J]. Acta Phys. -Chim. Sin., 2004,20(01): 1-4
582. Xia Ke;Hou Ting-Jun;Xu Xiao-Jie;Shen Xing-Hai.Molecular Modeling of DPH-Cyclodextrins Nanotube-type Aggregate[J]. Acta Phys. -Chim. Sin., 2004,20(01): 5-8
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589. Wu Hai-Shun;Xu Xiao-Hong;Ma Wen-Jin;Jia Jian-Feng.A Theoritical Study on the Mechanism of Interconversion of 2-amino-5-mercapto-1,3,4- thiadiazole Isomers[J]. Acta Phys. -Chim. Sin., 2003,19(05): 408-413
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604. Zou Hong-Ling;Yang Yan-Lian;Wu Bin;Qing Quan;Li Qing-Wen;Zhang Jin;Liu Zhong-Fan.Purification and Characterization of SingleWalled Carbon Nanotubes Synthesized by Chemical Vapor Deposition[J]. Acta Phys. -Chim. Sin., 2002,18(05): 409-413
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607. Guo Sen-Li;Hou Ting-Jun;Xu Xiao-Jie;Zhang Bin;Zhu Dao-Ben.Crystal Structure Prediction of a New BEDTTTF Charge Transfer Salt[J]. Acta Phys. -Chim. Sin., 2002,18(04): 289-91
608. Wu Hai-Shun;Xu Xiao-Hong;Zhang Cong-Jie;Zhang Fu-Qiang.Structure and Chemical Bonding of (XN)4R4 Cubic Clusters[J]. Acta Phys. -Chim. Sin., 2002,18(02): 127-130
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631. HAN Lei, PENG Li, CAI Ling-Yun, ZHENG Xu-Ming, ZHANG Fu-Shan.CH2 Scissor and Twist Vibrations of Liquid Polyethylene Glycol——Raman Spectra and Density Functional Theory Calculation[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
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