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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2007,Vol.23>> Issue(11)>> 1733-1737     doi: 10.3866/PKU.WHXB20071115         中文摘要
Theoretical Study on the Even-Odd Oscillation of the Vibration Modes of the Silica Nanowire
XU Can; ZHANG Xiao-Fang; CHEN Liang; ZHU Li-Fang; ZHANG Rong-Jun
Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, School of Physical Science and Technology, Lanzhou University, Lanzhou 730000, P. R. China; State Key Laboratory of Advanced Photonic Materials and Devices, Department of Optics Science and Engineering, Fudan University, Shanghai 200433, P. R. China
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The vibration spectrum of quasi 1D (one dimensional) nanosize lines was calculated using the density function theory (DFT)/B3LYP method at 6-31G(d) level. The results showed that the vibration frequency and intensity of IR and Raman spectra obviously indicated even-odd oscillation with the number of SiO2 units. For different vibration modes, the even-odd oscillation was strong or weak because of the effect of the polar group’s orientation relative to silicon-oxygen two-member ring. Moreover, the analyses of the polarization indicated the effect of hydroxyl on even-odd oscillation.

Keywords: Density functional theory   Even-odd oscillation   SiO2 nanomaterial   IR spectrum   Raman spectrum  
Received: 2007-04-02 Accepted: 2007-08-30 Publication Date (Web): 2007-09-21
Corresponding Authors: XU Can Email: cxulzu@yahoo.com


Cite this article: 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.    doi: 10.3866/PKU.WHXB20071115
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97. 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
98. 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
99. 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
100. 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
101. 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
102. 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
103. 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
104. 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
105. 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
106. 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
107. 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
108. 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
109. 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
110. 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
111. 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
112. SHI Lin, YU Tie, WANG Xin-Quan, WANG Jun, SHEN Mei-Qing.Properties and Roles of Adsorbed NH3 and NOx over Cu/SAPO-34 Zeolite Catalyst in NH3-SCR Process[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1550-1557
113. 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
114. 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
115. ZHANG Xiao-Tong, YU Wen-Guang, QIN Yu-Cai, DONG Shi-Wei, PEI Ting-Ting, WANG Lin, SONG Li-Juan.Influence of Surface Acidity of Y Zeolites on the Adsorption of Organic Molecules by In situ Fourier Transform Infrared Spectroscopy[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1273-1280
116. 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
117. 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
118. 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
119. 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
120. 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
121. 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
122. 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
123. SHI Ji-Pei, ZHAO Juan, YANG Fan, WANG Jian-Ping.Femtosecond Two-Dimensional Infrared Spectroscopy of N-Ethypropionamide[J]. Acta Phys. -Chim. Sin., 2013,29(04): 695-700
124. TANG Jing, PANG Wen-Hui, Ren He, CHEN Qiao-Lan, SONG Zi-Wang, LIN Jian-Hang.Rapid Transfer of Au Nanoparticle Pattern onto ITO Substrate Using Microcontact Printing Technique[J]. Acta Phys. -Chim. Sin., 2013,29(03): 612-618
125. 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
126. YE Yong-Wei, WANG Xi, ZHENG Wan-Fang, LI Mei-Chao, MA Chun-An.Electrooxidation Reaction of 3-Bromobenzoic Acid on Pt Electrode[J]. Acta Phys. -Chim. Sin., 2013,29(03): 553-558
127. 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
128. GE Dong-Lai, FAN Ying-Ju, YIN Long, SUN Zhong-Xi.Determination of the Adsorption of Xanthate on Mesoporous CuAl2O4 Using a Continuous Online In situ ATR-FTIR Technology[J]. Acta Phys. -Chim. Sin., 2013,29(02): 371-376
129. 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
130. 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
131. 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
132. 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
133. 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
134. 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
135. 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
136. 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
137. 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
138. 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
139. 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
140. ZHOU Xin-Wen, GAN Ya-Li, SUN Shi-Gang.Studies of Oxidation Processes of Methanol on Hollow CoPt Nanospheres and In situ Electrochemical Fourier Transform Infrared Spectroscopy[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2071-2076
141. 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
142. HUA Xiao-Hui, LI Wei-Hong, XU Yi-Zhuang, WU Jin-Guang.Crystal Structures and Pore Stability of Coordination Polymers Constructed by Nicotinic Acid and Isonicotinic Acid with Co(II)[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1815-1822
143. WANG Chen-Chen, LIN Ke, HU Nai-Yin, ZHOU Xiao-Guo, LIU Shi-Lin.Ion Pairs in Aqueous Magnesium Nitrate Solution by Excess Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1823-1829
144. 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
145. 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
146. 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
147. 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
148. 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
149. ZHOU Zhi-You, LIN Jian-Long, SHANG Shu-Jing, REN Jie, SUN Shi-Gang.Preparation of Dendritic Pt Thin Films and Their Anomalous Infrared Effects[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1745-1750
150. 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
151. 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
152. 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
153. 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
154. 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
155. 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
156. 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
157. 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
158. 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
159. 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
160. 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
161. LI Lan, HU Geng-Shen, LU Ji-Qing, LUO Meng-Fei.Review of Oxygen Vacancies in CeO2-doped Solid Solutions as Characterized by Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1012-1020
162. 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
163. 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
164. 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
165. 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
166. LIU Bo, SUN Hong-Juan, PENG Tong-Jiang.Factor Group Analysis of Molecular Vibrational Modes of Graphene and Density Functional Calculations[J]. Acta Phys. -Chim. Sin., 2012,28(04): 799-804
167. GUO Xin, TAN See-Hua, SHANG Zhi-Jun, GUO Yu-Cong, ZHANG Yun-Hong.Confocal Raman Spectroscopy Studies on the Interactions between NH4+, NO3- and H2O in Supersaturated NH4NO3 Droplets[J]. Acta Phys. -Chim. Sin., 2012,28(04): 766-772
168. 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
169. 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
170. 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
171. 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
172. 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
173. 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
174. KONG Xiang-Lei.Effects of Mode-Mode Coupling on Vibrational Frequency Blue Shift in Improper H-Bonded Systems[J]. Acta Phys. -Chim. Sin., 2012,28(02): 303-308
175. 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
176. ZHANG Jie, WANG Juan-Fen, ZHANG Jian-Jun.Synthesis, Characterization and Thermal Decomposition Mechanism of Rare Earth Complexes with 5-Chloro-2-methoxybenzoic Acid and 1,10-Phenanthroline[J]. Acta Phys. -Chim. Sin., 2012,28(02): 290-296
177. ZHU Ying-Hong, ZENG Hong-Yan, LI Shan-Shan, LU Zai-Xiang, MA Chun-An.Electrochemical Oxidation of p-Methoxy Toluene in BMIMBF4 Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2012,28(02): 421-426
178. 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
179. XU Zong-Ping, ZHAO Yan-Ying, WANG Hui-Gang, ZHENG Xu-Ming.Resonance Raman Spectroscopy and Density Functional Theory Investigations on the Excited State Structural Dynamics of N-Methylpyrrole-2-carboxaldehyde and Its Solvent Effect[J]. Acta Phys. -Chim. Sin., 2012,28(01): 65-72
180. 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
181. 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
182. 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
183. 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
184. 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
185. 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
186. 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
187. 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
188. 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
189. 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
190. 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
191. TONG Hai-Jie, QIAN Zheng-Gang, REID Jonathan P., ZHANG Yun-Hong.High Temporal and Spatial Resolution Measurements of the Rapid Efflorescence of Sea Salt Droplets[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2521-2527
192. 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
193. 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
194. 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
195. 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
196. 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
197. 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
198. 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
199. 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
200. 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
201. 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
202. 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
203. 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
204. 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
205. 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
206. 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
207. 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
208. 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
209. 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
210. 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
211. 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
212. 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
213. 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
214. 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
215. SUN Du, YIN Peng-Gang, GUO Lin.Synthesis and Raman Property of Porous Jujube-Like Cu2O Hierarchy Structure[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1543-1550
216. 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
217. WU Xiao-Lin, SUN Rong, ZHU Peng-Li, DU Ru-Xu.Near Infrared Spectrum Analysis of Organic/Inorganic Composite Microcapsule Phase Change Materials[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1039-1044
218. 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
219. 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
220. WANG Wang-Yin, PAN Ming-Xue, QIN Yu-Cai, WANG Ling-Tao, SONG Li-Juan.Effects of Surface Acidity on the Adsorption Desulfurization of Cu(I)Y Zeolites[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1176-1180
221. 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
222. 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
223. 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
224. 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
225. 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
226. 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
227. 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
228. 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
229. 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
230. SU Shu, HUANG Rong, ZHAO Liu-Bin, WU De-Yin, TIAN Zhong-Qun.Vibrational Spectroscopy Criteria to Determine α-Pyridyl Adsorbed on Transition Metal Surfaces[J]. Acta Phys. -Chim. Sin., 2011,27(04): 781-792
231. 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
232. 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
233. 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
234. 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
235. 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
236. 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
237. 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
238. 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
239. 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
240. 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
241. 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
242. WANG Bin, DU Min, ZHANG Jing.Inhibition Performance of an Imidazoline Derivative as a Gas-Liquid Two-Phase Inhibitor for Q235 Steel against CO2 Corrosion[J]. Acta Phys. -Chim. Sin., 2011,27(01): 120-126
243. LU Xue-Bin, GUO Zhao-Hui, HUANG Rong, CHEN Ming-An.Preparation of a (3-Mercaptopropyl)triethoxylsilane Film on Copper and Its Corrosion Protective Performance[J]. Acta Phys. -Chim. Sin., 2011,27(01): 108-112
244. 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
245. 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
246. LIU Chong, DU Rui, ZHAO Yan-Ying, WANG Hui-Gang, ZHENG Xu-Ming.Resonance Raman Spectroscopy of the Excited State Structural Dynamics of 6-N,N-Dimethyladenine[J]. Acta Phys. -Chim. Sin., 2011,27(01): 17-24
247. 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
248. 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
249. LI Mei-Chao, WANG Wu-Yang, ZHU Wan-Xia, MA Chun-An.Electrocatalytic Oxidation of Ascorbic Acid on a PPy-HEImTfa/Pt Electrode and Its Mechanism[J]. Acta Phys. -Chim. Sin., 2010,26(12): 3212-3216
250. 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
251. 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
252. 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
253. 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
254. 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
255. ZHANG Li-Qun, LI Hao-Ran.Progress of Investigations on Structures and Interactions of Ionic Liquids by Infrared Spectroscopy and Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2010,26(11): 2877-2889
256. 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
257. 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
258. 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
259. 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
260. 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
261. ZOU Yan, WANG Jia, ZHENG Ying-Ying.Electrochemical Corrosion Behaviors of Rusted Carbon Steel[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2361-2368
262. 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
263. YU Xiao-Chun, LIN Ke, HU Nai-Yin, ZHOU Xiao-Guo, LIU Shi-Lin.Effects of Salts on theMicrostructure ofMethanol[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2473-2480
264. 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
265. 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
266. 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
267. 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
268. 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
269. ZHAO Rong-Li, LIN Ke, ZHOU Xiao-Guo, LIU Shi-Lin.Solubility of Poly(N-isopropylacrylamide) in Aqueous Methanol from Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1915-1922
270. 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
271. 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
272. 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
273. 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
274. 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
275. 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
276. 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
277. 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
278. 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
279. 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
280. 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
281. 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
282. 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
283. WANG Wei, LV Rong, YU An-Chi.Low Frequency Spectrumof Ionic Liquid [bmim][PF6] Studied by Femtosecond Optically Heterodyne-Detected Optical Kerr Effect Spectroscopy and Low Frequency Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2010,26(04): 964-970
284. 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
285. 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
286. ZHANG Ye-Xin, SU Qing-Yun, WANG Zhong-Peng, GAO Xi-Yan, ZHANG Zhao-Liang.Surface Modification of Mg-Al Hydrotalcite Mixed Oxides with Potassium[J]. Acta Phys. -Chim. Sin., 2010,26(04): 921-926
287. 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
288. 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
289. CUI Li, REN Bin, TIAN Zhong-Qun.Surface-Enhanced Raman Spectroscopic Study on the Co-adsorption of DNA Bases with Perchlorate[J]. Acta Phys. -Chim. Sin., 2010,26(02): 397-402
290. 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
291. 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
292. 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
293. 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
294. 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
295. 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
296. 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
297. 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
298. 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
299. 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
300. 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
301. 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
302. 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
303. 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
304. 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
305. 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
306. 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
307. 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
308. 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
309. 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
310. 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
311. 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
312. 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
313. QU Shao-Hua, JIA Li-Hui.Mechanical Properties of Si/DLC Films on Au and Au-Cu Substrates[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2391-2394
314. 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
315. 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
316. 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
317. 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
318. 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
319. 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
320. 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
321. 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
322. 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
323. 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
324. 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
325. FANG Xiang, SHEN Pei-Kang.Mechanism of Ethanol Electrooxidation on Pd Electrode[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1933-1938
326. 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
327. 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
328. 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
329. WENG Ke-Feng, WANG Hui-Gang, ZHU Xin-Ming, ZHENG Xu-Ming.Resonance Raman Spectra of Uracil and 5-Chlorouracil Dynamic Structures during 1S01S2 Transition[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1799-1805
330. 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
331. 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
332. 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
333. 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
334. 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
335. 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
336. 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
337. MA Shan-Shan, ZHANG Ying-Jiu, HU Xiao-Yang, CHENG Liang, ZHOU Hui-Hua, TIAN Yong-Tao, LI Xin-Jian, ZHU Jing.Surface-Enhanced Raman Spectrum and Preparation of One-Dimensional Copper(Core)-Nickel(Shell) Nanostructure[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1337-1341
338. 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
339. 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
340. 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
341. 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
342. 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
343. 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
344. 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
345. 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
346. 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
347. CAI Kai-Cong, WANG Jian-Ping.Molecular Dynamical Structures of Glycolaldehyde[J]. Acta Phys. -Chim. Sin., 2009,25(04): 677-683
348. 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
349. 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
350. LIU Shu-Bin.Conceptual Density Functional Theory and Some Recent Developments[J]. Acta Phys. -Chim. Sin., 2009,25(03): 590-600
351. 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
352. WANG Yan; ZENG Xiao-Lan; WANG Ling.Diels-Alder Reactions between Silabenzenes and Dienophiles[J]. Acta Phys. -Chim. Sin., 2009,25(02): 371-376
353. 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
354. 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
355. 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
356. 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
357. 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
358. YU Yan-Chun; XIAO He-Ming.Synthesis, Structure and Hydration of Sodium Dioleyl Sulfosuccinate[J]. Acta Phys. -Chim. Sin., 2009,25(01): 30-34
359. 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
360. 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
361. 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
362. 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
363. 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
364. 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
365. 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
366. LIN Xiu-Mei, WANG Xiang, LIU Zheng, REN Bin.Enhanced Raman Scattering by Polystyrene Microspheres and Application for Detecting Molecules Adsorbed on Au Single Crystal Surface[J]. Acta Phys. -Chim. Sin., 2008,24(11): 1941-1944
367. 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
368. 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
369. 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
370. LI Mei-Chao; WU Hai-Feng; HU Jia-Qi; MA Chun-An.Electroreduction Mechanismof p-Nitrophenol in Sulfuric Acid[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1937-1940
371. 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
372. 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
373. 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
374. DENG Wen-Ping, XU Gang, WAN Lei, LIU An-Wen, GAO Bo, DU Jun-He, HU Shui-Ming, CHEN Yang.Apparatus for High-Resolution Solid Hydrogen Matrix Isolation Spectroscopy and Its Application[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1329-1334
375. 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
376. 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
377. 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
378. 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
379. 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
380. WANG Wen-Qing; SHEN Xin-Chun; GONG Yan.Magnetic Chirality Transitions of D- and L-Alanine[J]. Acta Phys. -Chim. Sin., 2008,24(05): 743-748
381. 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
382. 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
383. 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
384. 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
385. 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
386. 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
387. 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
388. 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
389. RAO Gui-Shi; FAN Feng-Ru; WANG Guo-Fu; WU Zhi-Xiang; YI Fei; ZHONG Qi-Ling; REN Bin; TIAN Zhong-Qun.In-situ SERS of Formic Acid Electro-catalytic Oxidation on Aucore@Ptshell/Pt Electrode[J]. Acta Phys. -Chim. Sin., 2008,24(02): 345-349
390. 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
391. 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
392. 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
393. 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
394. ZHANG Dong-Feng; ZHANG Ya-Hui; GUO Lin; ZHANG Rui; YIN Peng-Gang; ZHANG Qi.Synthesis of α-ZnS Nanoparticles and Their Photoluminescence and Raman Properties[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1985-1988
395. 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
396. 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
397. 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
398. DONG She-Ying; XUE Chun-Xia; HUANG Ting-Lin.Interaction between Atorvastatin Calciumand Bovine Serum Albumin[J]. Acta Phys. -Chim. Sin., 2007,23(10): 1520-1524
399. 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
400. 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
401. 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
402. ZHOU Guang-Ming; YU Dan-Ni; LI Si; YANG Da-Cheng.Adsorption of Leucine and Isoleucine on Core-Shell Au/Ag Nanoparticles[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1478-1482
403. 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
404. ZHONG Qi-Ling; ZHANG Bing; DING Yue-Min; LIU Yue-Long; RAO Gui-Shi; WANG Guo-Fu; REN Bin; TIAN Zhong-Qun.In-situ Surface-enhanced Raman Spectroscopic Investigation on Ethanol Electrooxidation in Different Media[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1432-1436
405. 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
406. LI Shi-Bin; WU Zhi-Ming; ZHU Kui-Peng; JIANG Ya-Dong; LI Wei; LIAO Nai-Man.Effect of Substrate Temperature on the Optical Properties of a-Si:H Films by RF-PECVD[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1252-1256
407. 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
408. 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
409. 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
410. 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
411. 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
412. 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
413. CHEN Ren-Jie; WU Feng; LI Li; QIU Xin-Ping; CHEN Shi.Binary Molten Salt Electrolytes Based on LiClO4 and 2-oxazolidinone[J]. Acta Phys. -Chim. Sin., 2007,23(04): 554-558
414. 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
415. 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
416. 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
417. 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
418. LI Rui-Hua;JIANG Zhan-Peng.Effects of Anions on OH Stretching Raman Spectra of Water[J]. Acta Phys. -Chim. Sin., 2007,23(01): 103-106
419. 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
420. 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
421. 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
422. 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
423. 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
424. 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
425. 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
426. JIANG Li-Min;LI Wei-Ping;ZHU Yue-Jin .Irradiation and Recrystallization Study of Poly(vinylidene fluoride-trifluoroethylene) Copolymer By Infrared Spectrum[J]. Acta Phys. -Chim. Sin., 2006,22(08): 999-1003
427. CHEN Ming-An;XIE Xuan;QI Hai-Ying;ZHANG Xin-Ming;LI Hui-Zhong;YANG Xi .Characterization of Self-assembled Bis-[triethoxysilylpropyl]tetrasulfide Silane Films on Surface of 2A12-T6 Aluminum Alloy[J]. Acta Phys. -Chim. Sin., 2006,22(08): 1025-1029
428. 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
429. 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
430. CHEN Hu;XU Xing-You;GAO Jian;YANG Xu-Jie;LU Lu-De;WANG Xin.Study on Crystal Structure of [Ni(phen)3](ClO4)2[J]. Acta Phys. -Chim. Sin., 2006,22(07): 856-859
431. 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
432. 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
433. JIN Guo-Jie;GUO Yang-Long;LIU Xiao-Hui;YAO Wei;GUO Yun;WANG Yun-Song;YUAN Fang;LU Guan-Zhong.In situ FT-IR Study on the Direct Gas Phase Epoxidation of Propylene over Ag-MoO3 Catalyst[J]. Acta Phys. -Chim. Sin., 2006,22(07): 809-814
434. 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
435. SUN Yuan-Hua;ZHANG Tong-Lai;ZHANG Jian-Guo;YANG Li;QIAO Xiao-Jing.Kinetics of Flash Pyrolysis of [Co(CHZ3](ClO42 and [Ni(CHZ)3](ClO4)2[J]. Acta Phys. -Chim. Sin., 2006,22(06): 649-652
436. ZHANG Ai-Ping;FANG Yan.The Effect of Anions on Silver Colloids Aggregation[J]. Acta Phys. -Chim. Sin., 2006,22(06): 756-760
437. 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
438. 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
439. 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
440. 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
441. 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
442. 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
443. 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
444. 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
445. 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
446. 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
447. 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
448. 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
449. 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
450. GU Renao; SHEN Xiao-ying; WANG Mei.Study on the Interaction of 2,2′-bipyridine and Zn Electrode by Surface-enhanced Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1117-1121
451. ZHONG Qi-ling ; ZHANG Xiao-hong; ZHOU Hai-Hui; WEN Zu-biao; YANG Xiong-yuan; HUANG Peng; REN Bin; TIAN Zhong-qun.In-situ SERS of Piperonal and Isosafrole Electrooxidation on Pt Electrode[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1182-1185
452. 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
453. 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
454. 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
455. 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
456. 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
457. 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
458. WANG Xiao-Hua; TAO Guo-Hong; WU Xiao-Mu; KOU Yuan.Investigation of the Acidity of Ionic Liquids by IR Spectroscopy[J]. Acta Phys. -Chim. Sin., 2005,21(05): 528-533
459. 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
460. 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
461. 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
462. 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
463. 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
464. 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
465. 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
466. 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
467. Li Xue-Hui; Zhang Lei; Li Qiong; Geng Wei-Guo; Ye Yu-Jia; Wang Le-Fu.TGA-FTIR Study of 1-n-butyl-3-methylimidazolium Bromide Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1465-1468
468. 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
469. Li Bao-Zong.Density Functional Theory Calculations on 2-thioxanthine Tautomers[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1455-1458
470. 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
471. 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
472. 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
473. 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
474. 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
475. 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
476. Zhong Qi-Ling;Zhang Bin;Zhang Lei;Yang Xiong-Yuan;Huang Peng.In-situ SERS of Dissociative Adsorption and Oxidation of Ethanol on Roughed Platinum Electrodes[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1163-1166
477. Feng Xue-Jun;Li Qian-Shu.Theoretical Studies on Perfluoroadamantane and Its Radicals[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1172-1174
478. Wang Fan;Li Le-Min.Relativistic Density Functional Computational Methods with High Accuracy[J]. Acta Phys. -Chim. Sin., 2004,20(08S): 966-973
479. 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
480. 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
481. Zhang Sheng-Mao;Zhang Chun-Li;Zhang Jing-Wei;Zhang Zhi-Jun;Dang Hong-Xin;Wu Zhi-Shen;Liu Wei-Min.Preparation of Silver Nanoparticles in Room Temperature Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2004,20(05): 554-556
482. Li Bao-Zong.Density Functional Theory Calculations of 6-thioxanthine Tautomers[J]. Acta Phys. -Chim. Sin., 2004,20(05): 503-506
483. Zhong Qi-Ling;Zhang Xiao-Hong;Su Xiao-Qiong;Zhang Lei;Liu Yue-Long;Ren Bin;Tian Zhong-Qun.The Investigation of Electro-oxidation Behavior and In-situ Surface Enhanced Raman Spectrum of Isosafrole on Rough Pt[J]. Acta Phys. -Chim. Sin., 2004,20(01): 94-97
484. Dai Shu-Xi;Zhang Xing-Tang;Li Yun-Cai;Du Zu-Liang;Dang Hong-Xin.Surface Enhanced Raman Spectra of Lipid Langmuir Monolayers at the Air-Water Interface[J]. Acta Phys. -Chim. Sin., 2003,19(12): 1123-1126
485. Li Ji-Chao;Wang Chun-Lei;Zhong Wei-Lie.Vibrational Modes Analysis of Poly (vinylidene fluoride) All-trans Molecular Chain[J]. Acta Phys. -Chim. Sin., 2003,19(11): 1010-1014
486. Liu Chen;Chen Feng-En;Zhang Jia-Xin;Shi Gao-Quan.Raman Spectroscopic Studies on Electrosynthesized Polyaniline Film[J]. Acta Phys. -Chim. Sin., 2003,19(09): 810-814
487. Xu Yi-Jun;Li Jun-Qian;Zhang Yong-Fan.O2 Adsorption on MgO(001) Surface with Oxygen and Magnesium Vacancies[J]. Acta Phys. -Chim. Sin., 2003,19(09): 815-818
488. Shao Xiao-Hong;Zhang Xian-Ren;Wang Wen-Chuan.Comparison of Density Functional Theory and Molecular Simulation Methods for Pore Size Distribution of Mesoporous Materials[J]. Acta Phys. -Chim. Sin., 2003,19(06): 538-542
489. Li Yong-Hong;Chen Li-Ping;Xu Wen-Yuan;Hong San-Guo.Reaction Mechanism of the Gas-phase Elimination of 2-bromopropionic Acid[J]. Acta Phys. -Chim. Sin., 2003,19(05): 389-392
490. Xu Yi-Jun;Li Jun-Qian;Zhang Yong-Fan;Chen Wen-Kai.Theoretical Study of O2 Adsorption on Perfect and Defect Sites of MgO(001) Surface[J]. Acta Phys. -Chim. Sin., 2003,19(05): 414-418
491. Wang Xin-Qing;Wang Miao;Li Zhen-Hua;Zhu Hai-Bin;Wang Feng-Fei.Purification and Characterization of Single-Walled Carbon Nanotubes Produced by Arc-Discharge[J]. Acta Phys. -Chim. Sin., 2003,19(05): 428-431
492. 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
493. Li Feng-Yi;Xu Wen-Yuan;Yu Jun-Wen.Quantum Chemistry Calculation on the Alcoholysis of Dichloromethylsilane[J]. Acta Phys. -Chim. Sin., 2003,19(04): 338-341
494. Zhang Yuan;Cao Ai-Nian;Sun Yue-Ming;Liu Ju-Zheng;Gu Fan.Theoretical Study on the Interaction of Two NO Molecules and Dimers with Cu2[J]. Acta Phys. -Chim. Sin., 2003,19(03): 193-197
495. Li Wei-Hua;Lü Guo-Wei;Huang Lan;Gao Hong;Du Wei-Min.Aspirin Synthesis On-line Measurement by Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2003,19(02): 105-108
496. Li Rui-Hua;Jiang Zhan-Peng;Shi Shao-Qi;Yang Hong-Wei.Raman Spectroscopic Study of Effect of CaCl2 and MgCl2 on Structure of Water[J]. Acta Phys. -Chim. Sin., 2003,19(02): 154-157
497. Yu Bin;Yang Zhan-Lan;Sun Ying;Weng Shi-Fu;Wu Jin-Guang.Interaction of Bile Salts with Calcium Phosphate[J]. Acta Phys. -Chim. Sin., 2002,18(12): 1076-1080
498. Zhao Yan-Ying;Liu Ya-Jun;Zheng Shi-Jun;Huang Ming-Bao;Meng Ling-Peng.DFT Study of the Pentene Radical Cations: Molecular and Hyperfine Structures[J]. Acta Phys. -Chim. Sin., 2002,18(12): 1081-1086
499. Yuan Shi-Bin;Wei Zeng-Quan;Gao Qing-Xiang;Li Hai-Yan.Radiolysis of Amino Acid Derivatives Induced by the Irradiation of 110keV Fe Ion Beams[J]. Acta Phys. -Chim. Sin., 2002,18(11): 1033-1037
500. Zhou Zhi-You;Sun Shi-Gang;Chen Sheng-Pei;Si Di;Gong Hui.Electrochemical In Situ Step-scan Time-resolved Microscope FTIR Spectroscopy[J]. Acta Phys. -Chim. Sin., 2002,18(11): 989-993
501. Sha Yin-Lin;Li Yin-Ling;Qiu Yang;Wang Qi;Lai Lu-Hua;Tang You-Qi.de novo Design and Conformational Studies of a β-hairpin Forming Peptide[J]. Acta Phys. -Chim. Sin., 2002,18(10): 907-910
502. Li Quan;Xu Cheng-Gang;Wang Hong-Yan;Zhu Zheng-He.Thermodynamic Stability of PuH2 (g) Molecules[J]. Acta Phys. -Chim. Sin., 2002,18(10): 952-955
503. Chen Wen-Kai;Xu Jiao;Zhang Yong-Fan;Zhou Li-Xin;Li Jun-Qian.A Theoretical Study on the Proton Transfer in 2-hydroxy Pyridine[J]. Acta Phys. -Chim. Sin., 2002,18(09): 802-807
504. Zhou Shi-Qi;Zhang Xiao-Qi.A New Bridge Functional and Its Application to Density Functional Approach for Non-uniform Fluid[J]. Acta Phys. -Chim. Sin., 2002,18(08): 699-704
505. Zhou Xing-Fu;Han Ai-Jie;Chu Dao-Bao;Lin Chang-Jian;Tian Zhong-Qun.Preparation of Nanocrystalline NiO by Electrochemical Dissolution of Nickel[J]. Acta Phys. -Chim. Sin., 2002,18(07): 613-616
506. Xu Yong-Xiang;Yan Chuan-Wei;Gao Yan-Min;Cao Chu-Nan.Diffusion and Existing Form of Water Vapour in Organic Coatings[J]. Acta Phys. -Chim. Sin., 2002,18(07): 649-652
507. Shen He-Bai;Zhou Wen-Jun;Yang Hai-Feng;Yu Pei-Tao.Change of Adsorption State of Oligodeoxynucleotides on the Silver Electrode Surface with Change of Potential[J]. Acta Phys. -Chim. Sin., 2002,18(06): 490-494
508. Cao Yang;Lü Chun-Xu;Lü Zao-Sheng;Cai Chun;Wei Yun-Yang;Li Bin-Dong.Theoretical Studies of the Bending Transformation of Nitronium and Nitrogen Dioxide[J]. Acta Phys. -Chim. Sin., 2002,18(06): 527-531
509. Pu Min;Wang Hai-Xia;Feng Xiao;Wu Dong;Sun Yu-Han.Research on the Rotation Rearrangement of C=C Double Bond of 3-Hydroxy Acrolein by Density Function Theory[J]. Acta Phys. -Chim. Sin., 2002,18(06): 522-526
510. Li Yong;Zhang Ke-Xu;Yi-Zhuang;Tao Dong-Liang;Wang Zhi-Xian;Gao Hong-Cheng;Wu Jin-Guang.Luminescence Character of Rare Earth Complexes with Derivatives of Benzoic Acid[J]. Acta Phys. -Chim. Sin., 2002,18(04): 292-296
511. Tan Jin-Zhi;Xiao He-Ming;Gong Xue-Dong;Li Jin-Shan.Comparison of DFT with Ab initio Method on the Study of Intermolecular Interaction of (CH3ONO2)2[J]. Acta Phys. -Chim. Sin., 2002,18(04): 307-314
512. 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
513. 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
514. Liu You-Cheng;Jiang Gang;Zhu Zheng-He.Molecular Structure for NX(X=F,Cl,Br) and the Contribution of Polarization Functions f Orbitals[J]. Acta Phys. -Chim. Sin., 2002,18(02): 117-121
515. Gulikezi Arip;Yang Zhan-Lan;Weng Shi-Fu;Wu Jin-Guang.The Association of Calcium Carbonate with Unconjugated Bilirubin[J]. Acta Phys. -Chim. Sin., 2001,17(10): 948-951
516. Yan Wei;Wei Zhi-Xiang;Wang Li-Li;Dai Li-Zong;Tian Zhong-Qun.Electrochemical and insitu Raman Spectroscopic Studies of Poly{(pyrrole-2,5-diyl)[(p-N,N-dimethylamino)benzylidene]}[J]. Acta Phys. -Chim. Sin., 2001,17(10): 908-912
517. Liu Ming-Zhao;Yang Zhan-Lan;Zhang Li;Weng Shi-Fu;Wu Jin-Guang.Photoluminescence of Solid Complexes EuxM1-x(TTA)3 (H2O)2 (M=La,Gd)[J]. Acta Phys. -Chim. Sin., 2001,17(09): 797-801
518. Wei Zhong;Chen Yan;Liu Zhong-Fan.Preparation of Short Single Walled Carbon Nanotubes by CVDGrowth and by Chemical Oxidation[J]. Acta Phys. -Chim. Sin., 2001,17(08): 687-691
519. Fu Hai-Tao;Li Ying;Wei Wu-Ji;Zhu Yi-Fan.The Inhibition of AMT on Bronze Corrosion in 5% Citric Acid[J]. Acta Phys. -Chim. Sin., 2001,17(07): 604-608
520. Gao Feng;Sha Yin-Lin;Qiu Yang;Wang Yue-Feng;Li Yin-Ling;Lai Lu-Hua;Wu Hou-Ming.Solution Conformation Study on a β-turn Forming Peptide[J]. Acta Phys. -Chim. Sin., 2001,17(07): 619-621
521. Li Quan;Wang Hong-Yan;Jiang Gang;Zhu Zheng-He.Structure and Potential Energy Function of PuX+(X=O,H,N,C)[J]. Acta Phys. -Chim. Sin., 2001,17(07): 622-625
522. Xue Wei-Dong;Zhang Guang-Feng;Zhu Zheng-He;Wang Xiao-Lin;Luo De-Li;Zou Le-Xi;Sun Ying.Calculation on Weakly Bound Carbon Dioxide Dimer by DFT[J]. Acta Phys. -Chim. Sin., 2001,17(06): 501-506
523. Zhou Xing-Fu;Chu Dao-Bao;Han Ai-Jie;Gu Jia-Shan;Lin Chang-Jian;Tian Zhong-Qun;Tan Jian-Guang.Electrochemical Dissolution of Pure Titanium and Direct Hydrolysis for Preparation of Nanocrystalline TiO2[J]. Acta Phys. -Chim. Sin., 2001,17(04): 367-371
524. Ai Hong-Qi;Bu Yu-Xiang.Study on the Electron Transfer of N-3+N3 System by the Goldenrule[J]. Acta Phys. -Chim. Sin., 2001,17(03): 210-215
525. Wang Zun-Yao;Xiao He-Ming;Li Jin-Shan.Mechanism of the Reactions F+Cl2->ClF +Cl and Cl′F+Cl->Cl′+ClF[J]. Acta Phys. -Chim. Sin., 2001,17(02): 107-110
526. Chen Jian-Gang;Xiang Hong-Wei;Dong Qing-Nian;Wang Xiu-Zhi;Sun Yu-Han.H2 or CO Chemsorption on Co-based Catalysts for F-T Synthesis[J]. Acta Phys. -Chim. Sin., 2001,17(02): 161-164
527. Yu Dian;Chen Zhi-Da;Wang Fan;Li Shu-Zhou.Study on Electronegativity and Hardness of the Elements by Density Functional Theory[J]. Acta Phys. -Chim. Sin., 2001,17(01): 15-22
528. Xu Gui-Ying;Zhang Li;Mao Hong-Zhi;Bao Meng;Lu Yan.The State of Solubilized Water in W/O Microemulsions in the Presence of[J]. Acta Phys. -Chim. Sin., 2001,17(01): 37-42
529. Li Quan, Liu Xiao-Ya, Gao Tao, Zhu Zheng-He, Fu Yi-Bei, Wang Xiao-Lin, Sun Ying.Potentional Energy Function and Stability of PuOn+[J]. Acta Phys. -Chim. Sin., 2000,16(11): 987-991
530. Sun Guo-Xin, Yao Ming-Ming, Cui Yu, Bao Meng, Sun Si-Xiu.Microstucture of Water Equilibrted with Organic Phase[J]. Acta Phys. -Chim. Sin., 2000,16(08): 749-752
531. Fu Ai-Ping, Du Dong-Mei, Zhou Zheng-Yu, Yu Qing-Sen.Electron Transfer Reaction Mechanism between M-C6H6 and M+-C6H6 Complexes[J]. Acta Phys. -Chim. Sin., 2000,16(04): 317-324
532. Zeng Yue, Yao Shi-Bing, Zhou Shao-Min.In Situ Surface Raman Spectroscopy Study of Electrodeposition Mechanism of Ni-P Alloys[J]. Acta Phys. -Chim. Sin., 2000,16(02): 175-179
533. Deng De-Bin, Ma Li-Jing, Liu Xiu-Ying, Li Xuan-Wen.Study of the Realumination of H Zeolite Framework by Infrared Spectroscopy[J]. Acta Phys. -Chim. Sin., 2000,16(02): 162-165
534. Zhou Li-Xin, Mang Chao-Yong, Zhang Yong-Fan.Gas-phase Acidity and Aromaticity of 1,2-dithiosquaric Acid[J]. Acta Phys. -Chim. Sin., 2000,16(01): 15-21
535. Chen Ming-Shu, Weng Wei-Zheng, Wan Hui-Lin.Mechanism of Propane and iso-butane Oxidehydrogenation on VMgO Catalyst[J]. Acta Phys. -Chim. Sin., 1999,15(10): 938-942
536. Feng Hai-Yan, Liu Xiao-Di, He Shu-Mei, Wu Ke-Zhong, Zhang Jian-Ling.Studies on Solid-Solid Phase Transition of Polyols and their Binary Mixtures by Infrared Spectroscopy[J]. Acta Phys. -Chim. Sin., 1999,15(09): 850-855
537. Chen Bo-Zhen, Huang Ming-Bao.Hyperfine Structure in the HCS Radical:DFT B3LYP Calculations[J]. Acta Phys. -Chim. Sin., 1999,15(08): 673-675
538. Gong Xue-Dong, Xiao He-Ming.Calculations of the Structure,Vibrational Spectrum and Thermodynamic Properties of Succinimide[J]. Acta Phys. -Chim. Sin., 1999,15(08): 688-692
539. Zhang Hao-Li, Zhang Hua, Zhang Jin, Wu Bin, Liu Zhong-Fan, Li Hu-Lin.Fbrication and Structural Evaluation of Self-assembled Monolayer of Quinoline Derivative on Gold[J]. Acta Phys. -Chim. Sin., 1999,15(07): 657-661
540. Chen Bo-Zhen, Huang Ming-Bao, Yan Da-Yu.Calculation of (CH2)2N和(CH3)2NH+ by Density Functional Theory[J]. Acta Phys. -Chim. Sin., 1999,15(06): 495-499
541. Li Hai-Ying, Zhang Hao-Li, Zhang Jin, Liu Zhong-Fan.Preparation and Structural Characterization of Self-assembled Monolayers from a New Series of Mercapto Contained Azobenzene Derivatives[J]. Acta Phys. -Chim. Sin., 1999,15(03): 198-203
542. Niu Zhen-Jiang, Yao Shi-Bing, Zhou Shao-Min.In Situ Surface Raman Spectroscopy Study on Fe-Mo Alloy Induced-codeposition[J]. Acta Phys. -Chim. Sin., 1998,14(12): 1074-1079
543. Wei Kun, Shi Yan, He Lun-Yan.Crystal Structure and Infrared Spectra of Nanocrystalling Rare Earth Mixed Oxides Dy1-xSrxCoO3-y[J]. Acta Phys. -Chim. Sin., 1998,14(10): 957-960
544. Li Yan, Li Quan, Zhou Wei-Jin, Wu Jin-Guang.Spectroscopic Properties of Potassium Saponified HEHPEHE and the Formation of w/o Microemulsions[J]. Acta Phys. -Chim. Sin., 1998,14(09): 794-798
545. Mao Wen-Tao, Li Qiang, Su Hong-Mei, Kong Fan-Ao.Study of CICOCO Free Radical[J]. Acta Phys. -Chim. Sin., 1998,14(08): 673-675
546. Zhong Qi-Ling, Wang Dun-Qing, Liu Feng-Ming, Su Xiao-Qiong, Shi Cai-Hui, Tian Zhong-Qun.Raman Spectroscopic Studies on Coadsorption of Thiourea with Various Electrolyte Anions at Silver Electrodes[J]. Acta Phys. -Chim. Sin., 1998,14(06): 562-568
547. Wang Yi-Xuan, Li Hong-Ping, Wang Jin-Ben, Zhang Fu-Qiang, Zhao Jian-Ping, Dai Ming.Infrared Spectroscopic Studies of Interactions of the Diols with Aprotic Solvents[J]. Acta Phys. -Chim. Sin., 1998,14(06): 514-519
548. Zhou Heng-Hui, Chen Ji-Tao, Ci Yun-Xiang, Liu Chang-Yan.A Simple Method to Evaluate Lithium Insertion Capacity of PPP-based Carbon[J]. Acta Phys. -Chim. Sin., 1998,14(05): 477-480
549. Ding Han-Ming, Wang Hai-Shui, Cui Hai-Ning, Xi Shi-Quan.Study of Molecular Orientation in Langmuir-Blodgett Films by FTIR[J]. Acta Phys. -Chim. Sin., 1998,14(05): 472-476
550. Lv Hai-Gang, Li Le-Min.Study on the Molecules EuS2 and Eu2S with Apparently Abnormal Valence by Means of Density Functional Theory[J]. Acta Phys. -Chim. Sin., 1998,14(05): 413-418
551. Zhang Jin, Zhao Jiang, He Hui-Xin, Zhang Hao-Li, Li Hu-Lin, Liu Zhong-Fan.Mutual Coupling of Surface Electromagnetic Wave Between Silver Particles: Studies on the Mechanism of the Surface Enhanced Infrared Spectroscopy[J]. Acta Phys. -Chim. Sin., 1998,14(04): 375-379
552. Wang Bao-Shan, Guo Jing-Zhong, Gu Yue-Shu, Mao Wen-Tao, Kong Fan-Ao.Vibrational Energy Transfer from Highly Excited State CO to C2H2[J]. Acta Phys. -Chim. Sin., 1998,14(04): 327-331
553. Li Li-Xia, Zhang Xiao-Yang, Li Cui-Ping, Wang Ji-Yang.The Raman Spectrum of Lithium Diborate Crystal[J]. Acta Phys. -Chim. Sin., 1998,14(02): 182-184
554. Xu Hai-Bo,Lin Hai-Chao,Yu Jia-Kang.SERS Study of Adsorption and Condensation Reaction of Urea on Silver Electrode[J]. Acta Phys. -Chim. Sin., 1997,13(12): 1119-1122
555. Zhang Jin,Zhao Jiang,Zhang Hao-Li,Liu Zhong-Fan,Li Hu-Lin.Influence of End Alkyl Chain Length on the Structure of Self-assembled Monolayer of Azobenzene on Gold[J]. Acta Phys. -Chim. Sin., 1997,13(10): 868-872
556. Li Qiang,Mao Wen-Tao,Li Hong-Zhi,Zhu Qi-He,Kong Fan-Ao,Huang Ming-Bao.A Study of Excited States of Acetyl Radical[J]. Acta Phys. -Chim. Sin., 1997,13(10): 879-884
557. Tang Zi-Chao,Ren Bin,Huang Rong-Bin,Tian Zhong-Qun,Zheng Lan-Sun.Collapsed Deposition of Accelerated C60 Beam on Solid Surfaces[J]. Acta Phys. -Chim. Sin., 1997,13(06): 481-483
558. Zhang Hao-Li,Zhang Jin,Zhao Jiang,Wang Yong-Qiang,She Jin,Yu Hua-Zhong,Li Hu-Lin.New Approach on the Synthesis of Functionalized Alkanethiols and the Structural Characterization of Their Self-Assembled Monolayers[J]. Acta Phys. -Chim. Sin., 1997,13(06): 515-524
559. Li Quan,Li Wei-Hong,Weng Shi-Fu,Wu Jin-Guang,Xu Guang-Xian.FT-IR Study of Water Structure in Water/AOT/n-Heptane Microemulsion System[J]. Acta Phys. -Chim. Sin., 1997,13(05): 438-444
560. Ke Jie,Jin Shun-Zi,Han Bu-Xing,Yan Hai-Ke,Shen De-Yan.FTIR Study on the Interactions between Benzoic Acid and Ethanol,Benzoic Acid and Dimethyl Sulfoxide in Supercritical CO2[J]. Acta Phys. -Chim. Sin., 1996,12(11): 986-989
561. Yu Jia-Kang,Dong Jun-Hua,Cao Chu-Nan,Lin Hai-Chao.SERS and Quantum Chemistry Studies of Adsorption of Thiourea and Ethylthiourea on Silver Electrode[J]. Acta Phys. -Chim. Sin., 1996,12(09): 856-860
562. Mou Chun-Bo,He Tian-Jing,Wang Xiu-Yan,Liu Fan-Zhen,Jiang Ji-Sen,Chen Long-Wu.Surface Enhanced Raman Scattering(SERS) from H2TSPP and Ag(II)TSPP Adsorbed on Uniform Fe3O4 Colloids[J]. Acta Phys. -Chim. Sin., 1996,12(09): 841-844
563. Yang Hui,Lu Tian-Hong,Xue Kuan-Hong,Zhou Yi-Ming,Sun Shi-Gang,Chen Sheng-Pei.Cyclic Voltammetry and in-situ FTIR Spectroscopic Studies on Electro-oxidation of Formaldehyde at a Gold Electrode[J]. Acta Phys. -Chim. Sin., 1996,12(06): 527-531
564. Huang Wen,Li Xiao-Feng,Gu Ti-Ren.Conformation and Activity of RNaseA in Dodecylammonium Butyrate-Cyclohexane Reverse Micellar Solution[J]. Acta Phys. -Chim. Sin., 1996,12(04): 353-356
565. Zou Shou-Zhong,Gao Jin-Song,Li Chun-Zeng,Tian Zhong-Qun.Extending SERS Activity at Silver Electrodes to a Wide Potential Region[J]. Acta Phys. -Chim. Sin., 1995,11(11): 1020-1025
566. Wang Bi-Xun,Fu Yi-Lu,Fang Shu-Nong.A Study of [Cu-O-Cu]2+ Species on Cu-ZSM-5 Zeolite by in situ Infrared Spectroscopy[J]. Acta Phys. -Chim. Sin., 1995,11(11): 974-978
567. Yu Lin,Xu Yi-De,Guo Xie-Xian.A FT-IR Study on the Interaction of CH4 and O2 with the Surface of SrO-La2O3/CaO Catalysts[J]. Acta Phys. -Chim. Sin., 1995,11(10): 902-906
568. Li Ya-Li, Gao Yang, Liang Yong, Zheng Feng, Xiao Ke-Shen, Hu Zhuang-qi.Study of Surfacial Structure of Nano Si3N4 by Fourier Infrared Diffusion Reflection Spectra[J]. Acta Phys. -Chim. Sin., 1995,11(10): 886-889
569. Li Run-Qing, Zhang Jie, Chen Hui-Ming, Li Yu-He, Xu Xiao-Hua, Xie Qing-Lan.Study on the Mechanism of the Solvent Effect of Infrared Spectra(IV)[J]. Acta Phys. -Chim. Sin., 1995,11(09): 844-850
570. Zhang Fu-Shun,Wu Zhi-Yun,Kan Qiu-Bin.Study on IR Spectra of Ti-ZSM-11 Zeolite[J]. Acta Phys. -Chim. Sin., 1995,11(09): 836-839
571. Hu Yong-Ren,Zhang Lan-Xin,Xin Qin,Gao Xing-Tao,Ying Pin-Liang.Infrared Studies of the Surface Structure of Commercial Pt-Re/Al2O3 Reforming Catalyst[J]. Acta Phys. -Chim. Sin., 1995,11(07): 636-641
572. Hong Gong-Yi,Li Le-Min,Xu Guang-Xian,Lin Xian-Jie.The Linkage Isomerism of Lanthanum Monocarboxide[J]. Acta Phys. -Chim. Sin., 1995,11(06): 481-483
573. Zhao Bing, YUAN Chun-Bei, Zhao Da-Qing, Ni Jia-Zuang.Study of FT-Raman Spectroscopy on the Effects of Lanthanide Ions and Their Complexes on the Fluidity of Dipalmitoylphosphatidylethanolamine Bilayer[J]. Acta Phys. -Chim. Sin., 1995,11(05): 429-432
574. Li Jun, Li Xin-Sheng, Zhou Jian-Lue, Xin Qin, Zhang Hui, Chen Yao-Qiang, Chen Yu.Co or/and NO Adsorption on Reduced Rh2/SiO2 and Rh2-V/SiO2 Catalysts Characterized by Infrared Spectroscopy[J]. Acta Phys. -Chim. Sin., 1995,11(05): 401-406
575. Zhang Yu-Fen, Lin Qin.Structure and Properties on n-Type T'-214 Phase Superconductors[J]. Acta Phys. -Chim. Sin., 1995,11(03): 228-233
576. Zhou Wei-Jin, Shi Nai, Wu Jin-Guang.The Formation of Microemulsion Systems of Alkali Metal Salts of a 2-Ethylhexyl Phosphonic Acid Mono 2-Ethylhecyl Ester and the FT-IR Spectroscopic Studies[J]. Acta Phys. -Chim. Sin., 1995,11(02): 162-166
577. Sun Shi-Gang, Lu Guo-Qiang.Kinetics and Time Resolved FTIR Spectroscopic Characters of Dissociative Adsorption of HCOOH on Pt Electrode[J]. Acta Phys. -Chim. Sin., 1995,11(01): 56-60
578. Fang Ye, Bai Chun-Li, Wang Ting, Wei Ying, Zhang Ping-Cheng, Tang You-Qi.The Near Infrared Fourier Transform Raman Spectroscopy of Triplex DNA dA10 2DT10[J]. Acta Phys. -Chim. Sin., 1995,11(01): 66-70
579. Tian Zhong-Qun, Li Wu-Hu, Mu Ji-Qian, Mao Bing-Wei, Chen Jie-Guang, Zhuo Xiang-Dong, Zheng Wei, Wang Duo, Yan En-Rou.A Combined System of Raman-STM and Preliminary Tests[J]. Acta Phys. -Chim. Sin., 1994,10(12): 1062-1065
580. Li Xin-Sheng, Xin Qin, Zhang Hui, Li Jun, Zhou Jian-Lue, Chen Yao-Qiang, Chen Yu.Characterization of CO and/or NO Adsorbed on Reduced Rh-V/SiO2 Catalyst by Infraed Spectroscopy[J]. Acta Phys. -Chim. Sin., 1994,10(11): 1009-1014
581. Zheng Yu, Xie Wei-Wen, Zhang Lin-Na, Fu Gui-Xiang, Yu Lu, Zhu Zi-Ying.Thermal Decompositon Process and the Fragmentation Regularity of FAB-Mass Spectra of the Complex [Na3Fe(C2O4)3]·5H2O[J]. Acta Phys. -Chim. Sin., 1994,10(09): 774-778
582. Tian Zhong-Qun, Sun Shi-Gang, Luo Jin, Yang Yong.[J]. Acta Phys. -Chim. Sin., 1994,10(09): 860-866
583. Li Jing-Jian, Diao Peng, Cai Sheng-Min, Hou Yong-Tian, Wang Xin, Zhang Shu-Lin.The Influence of Chmical Oxidation on Surface State and Photoluminescence of Porous Silicon[J]. Acta Phys. -Chim. Sin., 1994,10(08): 737-740
584. She Li-Qin, Zhu Gao-Zhong, Wen Rui-Wu, Zhang Chang-Jun, Li Xuan-Wen, Liu Xing-Yun.Formation and Characterization of Ga Active Site in GaZSM-5 Zeolite[J]. Acta Phys. -Chim. Sin., 1994,10(07): 628-634
585. Wang Yi-Xuan, Li Hong-Ping, Zhang Fu-Qiang, Zhao Jian-Ping, Dai Ming.A Spectral Study of Intermolecular Hydrogen Bonding for N-methylaniline or Diphenylamine with some Proton Acceptors[J]. Acta Phys. -Chim. Sin., 1994,10(03): 217-222
586. She Li-Qin, Wang Duo-Cai, Li Xuan-Wen, Liu Xing-Yun, Han Ming.The States of Zinc in ZnZSM-5 Zeolites and their Catalysis[J]. Acta Phys. -Chim. Sin., 1994,10(03): 247-253
587. Liu Chun-Yan; Zhang Zhen-Zong; Ren Xin-Min.SERS of Benzothiazole Compounds Adsorbed on the Silver Electrode[J]. Acta Phys. -Chim. Sin., 1993,9(04): 533-537
588. Zeng Guang-Fu; Guo Xin; Wang Cui-Ying; Lin Yong-Hua; Li Han.Infrared Spectra and Crystal Structure of BIS-(Dimethoxylphosphato) Copper[J]. Acta Phys. -Chim. Sin., 1992,8(06): 778-782
589. Guo Ning; Zeng Guang-Fu; Xi Shi-Quan.Thermal Analysis nad Infrared Spectra of Dialkylammonium Tetrachlorocuprate[J]. Acta Phys. -Chim. Sin., 1992,8(06): 783-788
590. Li Li-Xia; Wang Ji-Yang; Yuan Duo-Rong; Qin Shi-Ying; Yu Hui; Zheng Ying.Raman Spectra of Triallylthiourea Cadmium Bromide Crystal[J]. Acta Phys. -Chim. Sin., 1992,8(05): 677-680
591. Zhou Zhi-Hua; Hu Wei-Dong; Lu Wen-Qing; Zhou Yi-Ming; Xue Kuan-Hong.Effect of Supporting Electrolyte on the Electrochemical Oxidation Pathways of Anhydrous Methanol at Gold Electrode[J]. Acta Phys. -Chim. Sin., 1992,8(05): 707-711
592. Wang Jin-Ben; Wang Yi-Xuan; Zhang Fu-Qiang; Zhao Jian-Ping; Dai Ming.A Study on Association of Amine With Several Solutes by Infrared Spectrometry[J]. Acta Phys. -Chim. Sin., 1992,8(04): 481-486
593. Xiao Feng-Shou; Ying Pin-Liang; Xin Qin; Guo Xie-Xian.A Characterization of Various Co-SITES on Co-Mo/Al2O3 and Ru-Co-Mo/Al2O3 Catalysts[J]. Acta Phys. -Chim. Sin., 1992,8(03): 321-325
594. Xu Jian-He; Sun Xian-Da; Lu Wei-Qin; Gao Hong-Jin.Study of Hydrogen Bond Association of Alcohol Molecules in Alkanes by IR Quantitative Analysis[J]. Acta Phys. -Chim. Sin., 1992,8(03): 358-363
595. Wang Wei; Li Lai-Ming; Xi Shi-Quan.Study on Low-Frequency Raman Spectra of n-Decylammonium Chloride[J]. Acta Phys. -Chim. Sin., 1992,8(01): 18-21
596. Li Xin-Sheng; Hou Zhen-Shan; Wei Zhao-Bin; Xin Qin.Study on Promotion of Cobalt and Ruthenium in Reduced Catalysts for Hydrodesulfurization by IR-Spectroscopy and Chemisorption[J]. Acta Phys. -Chim. Sin., 1991,7(06): 673-680
597. Wang Yi-Xuan; Zhao Jian-Ping; Dai Ming.Infrared Spectra Studies of Butanols in Carbon Tetrachloride, n-Heptane, Benzene and 1,2-Dichloroethane[J]. Acta Phys. -Chim. Sin., 1991,7(01): 36-42
598. Liang Ying-Qiu; Jiang Yu-Tao; Tian Yong-Chi.FT-IR Spectroscopic Study on Langmuir-Blodgett Films of Stearic Acid[J]. Acta Phys. -Chim. Sin., 1991,7(01): 72-76
599. SUN Hai-Tao, ZHONG Cheng, SUN Zhen-Rong.Recent Advances in the Optimally “Tuned” Range-Separated Density Functional Theory[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
600. LI Kui, ZHAO Yao-Lin, DENG Jia, HE Chao-Hui, DING Shu-Jiang, SHI Wei-Qun.Adsorption of Radioiodine on Cu2O Surfaces: a First-Principles Density Functional Study[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
601. ZHAO Cai-Bin, GE Hong-Guang, ZHANG Qiang, JIN Lin-Xia, WANG Wen-Liang, YING Shi-Wei.Theoretical Investigation on Photovoltaic Properties of BBPQ-PC61BM System[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
602. LI Ji-Hong, LIN Chang-Feng, QIN Wu, XIAO Xian-Bin, WEI Li.Synergetic Effect of Mercury Adsorption on Catalytic Decomposition of CO over Perfect and Reduced Fe2O3[001][J]. Acta Phys. -Chim. Sin., 0,(): 0-0
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