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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2010,Vol.26>> Issue(01)>> 149-154     doi: 10.3866/PKU.WHXB20091223         中文摘要
QUANTUM CHEMISTRY AND COMPUTATION CHEMISTRY
cis-trans Isomerization of Azobenzene Confined inside an Armchair (8,8) Single-Walled Carbon Nanotube
WANG Luo-Xin, YI Chang-Hai, ZOU Han-Tao, XU Jie, XU Wei-Lin
Key Laboratory of Green Processing and Functional Textiles of New Textile Materials, Ministry of Education, Wuhan University of Science and Engineering, Wuhan 430073, P. R. China
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Molecular structures, electronic spectra, and the thermal trans-cis isomerization of azobezene (AB) confined inside an armchair (8,8) single-walled carbon nanotube (CNT(8,8)) were calculated at the ONIOM(B3LYP/6-31+G*:UFF) level.We found that the entrance of azobenzene into CNT(8,8) was exothermic. The geometric parameters of azobenzene were not evidently affected by its confinement in CNT(8,8). Rotation of the phenyl rings was found to occur around the CN bond to some extent for both trans-and cis-azobenzene, which resulted in a twist configuration for the confined trans-azobenzene. The relative energy between the cis-and trans-azobenzene confined inside the CNT (8,8) increased by ca 8.1 kJ·mol-1 with respect to the case of the isolated azobenzene, suggesting that the relative thermal stability of the isomers of azobenzene is affected by their confinement in CNT(8,8). Electronic spectrum calculations showed that the lowest three singlet excitation energies of the confined azobenzene were blue-shifted by 1-5 nm in comparison to those of isolated azobenzene. By analyzing the potential energy surfaces, we found that the confinement in CNT(8,8) resulted in the increase in the activation barrier of the trans-to-cis isomerization of azobenzene but had little influence on the barrier of cis-to-trans backward reaction, which means that the confinement in CNT(8,8) restrained the trans-to-cis isomerization of azobenzene. The trans-cis isomerization process of the confined azobenzene mainly involved the bending of the CNN bond angle.



Keywords: Carbon nanotube   Azobenzene   cis-trans isomerization   Potential energy surface   Ab initio  
Received: 2009-06-26 Accepted: 2009-09-12 Publication Date (Web): 2009-11-10
Corresponding Authors: WANG Luo-Xin Email: wanglx@wuse.edu.cn


Cite this article: WANG Luo-Xin, YI Chang-Hai, ZOU Han-Tao, XU Jie, XU Wei-Lin. cis-trans Isomerization of Azobenzene Confined inside an Armchair (8,8) Single-Walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2010,26 (01): 149-154.    doi: 10.3866/PKU.WHXB20091223
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90. ZHENG Wei-Ling, XIAO Tan, ZHU Meng-Qi, WU Ping.Preparation and Dispersivity of Multiwalled Carbon Nanotubes Coated by Poly(phenylacetylene)[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2373-2379
91. SONG Bing-Lei, ZHAO Jian-Xi.Adsorption of Photosensitive Quaternary Ammonium Gemini Surfactant a4-6-m at the Air/Water Interface[J]. Acta Phys. -Chim. Sin., 2009,25(10): 2020-2025
92. LU Yue-Mei, GONG Qian-Ming, LIANG Ji.Preparation of Carbon Nanotubes/Activated Carbon Composite Microspheres and Their Application to Adsorption of VB12[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1697-1702
93. ZHENG Zheng, LIU Zhen-Ming, ZHANG Liang-Ren.A Combined Method for Determining Reaction Transition State Geometry and Energy[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1439-1442
94. WU Bin, BAI Lu, GONG Qian-Ming, LIANG Ji.Effect of Non-Ionic Surfactants on the Dispersion of Multiwalled Carbon Nanotubes at High Loading in Ethanol[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1065-1069
95. CAO You-Ming, WANG Zhi-Yong, SHI Zu-Jin, GU Zhen-Nan.Preparation and Catalytic Properties of SWNTs-Supported Pd Catalyst[J]. Acta Phys. -Chim. Sin., 2009,25(05): 825-828
96. YANG Zhong-Zhi, LIU Yong-Jun.Calculation of the 9 Low-Energy Sructures of (H2O)11 Clusters Using the Accurate Ab Initio Method and the ABEEM/MM Model[J]. Acta Phys. -Chim. Sin., 2009,25(05): 928-934
97. MA Ruo-Biao, FU Yan-Bao, MA Xiao-Hua.Preparation and Electrochemical Performance of Tin-Dioxide Filled Multi-Walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2009,25(03): 441-445
98. DOU Wen-Ling; XIN Xia; XU Gui-Ying.Dispersion of Carbon Nanotubes by Amphiphilic Molecules[J]. Acta Phys. -Chim. Sin., 2009,25(02): 382-388
99. ZHU Yu-Zhen; WANG Sheng; WEI Xian-Long; DING Li; ZHANG Zhi-Yong; LIANG Xue-Lei; CHEN Qing; PENG Lian-Mao.Frequency Response of SWCNT Field-Effect Transistors with MWCNT Interconnects[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2122-2127
100. GAO Li-Guo; SONG Xiao-Li; CHEN Xiao-Xia; WANG Yong-Cheng.C—S Activation of CS2 by Y+ in Gas Phase[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2083-2088
101. CHEN Xi-Liang; MA Ming-Wang; YANG Xiao-Min; YANG Kang; JI Te; WU Sheng-Wei; ZHU Zhi-Yong.Electrical and Optical Properties of MWNTs/HDPE Composites in THz Region[J]. Acta Phys. -Chim. Sin., 2008,24(11): 1969-1974
102. ZHANG Wei; CUI Xiao-Li; JIANG Zhi-Yu.Effect of Composite Modes on Photoelectrochemical Properties of MWCNTs/TiO2 Nanocomposite Films[J]. Acta Phys. -Chim. Sin., 2008,24(11): 1975-1980
103. WANG Luo-Xin; TUO Xin-Lin; XU Jie; LI Song-Nian; WANG Xiao-Gong.Effect of Trans-Cis Isomerization on the Sensitivity of Energetic Azo-Compounds[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1756-1760
104. 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
105. LEE Shih-Fong, CHANG Yung-Ping, LEE Li-Ying.Enhancement of Field Emission Characteristics for Multi-Walled Carbon Nanotubes Treated with a Mixed Solution of Chromic Trioxide and Nitric Acid[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1411-1416
106. ZHANG Xu-Zhi; JIAO Kui.Single-Walled Carbon Nanotubes and RoomTemperature Ionic Liquid Composite Film Modified Electrode[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1439-1444
107. CAO Ling-Chao; LIU Yun-Qi; WANG Yu; WEI Da-Cheng; FU Lei; HU Ping-An; ZHANG Hong-Liang; HUANG Li-Ping; YU Gui.Wet Purification of Aligned Carbon Nanotube Arrays and Its Impact on the Morphology of the Carbon Nanotube Arrays[J]. Acta Phys. -Chim. Sin., 2008,24(06): 951-954
108. CHEN Dai-Wu; XIE Qing-Ji; JIANG Xue-Qin; YAO Shou-Zhuo.Interactions of Quercetin with Casein and Bovine Serum Albumin as well as Effects of Coexisting Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2008,24(03): 379-387
109. CHEN Yu-Ting; ZHANG Hai-Yan; ZHANG Guo-Qing; CHEN Yi-Ming; ZHU Qing-Feng.Influence of Addition of Carbon Nanotubes in the Hydrogen Storage Alloy Electrode on the Performance of SC High Power Batteries[J]. Acta Phys. -Chim. Sin., 2008,24(03): 527-532
110. ZHI Shao-Feng; ZHANG Zhen-Hua; QIU Ming; PENG Jing-Cui.Electronic Velocity and Effective Mass of the Single-walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2008,24(02): 275-280
111. YAN Hui; YUAN Shi-Ling; LIU Cheng-Bu.Radical Chain Reaction of Alkene Molecule on H-terminated Si(100)-2×1 Surface[J]. Acta Phys. -Chim. Sin., 2008,24(01): 8-12
112. WU Guang-Xin; ZHANG Jie-Yu; WU Yong-Quan; LI Qian; CHOU Kuo-Chih; BAO Xin-Hua.First-Principle Calculations of the Adsorption, Dissociation and Diffusion of Hydrogen on the Mg(0001) Surface[J]. Acta Phys. -Chim. Sin., 2008,24(01): 55-60
113. WU Yu-Cheng; LIU Xiao-Lu; YE Min; XIE Ting; HUANG Xin-Min.Preparation and Properties of Carbon Nanotube-TiO2 Nanocomposites[J]. Acta Phys. -Chim. Sin., 2008,24(01): 97-102
114. XU Xing-Zhong; YANG Jian-Feng; LI Xiao-Nian; YAN Xin-Huan.Hydrogenation of o-chloronitrobenzene over CNTs Supported Pt Catalyst Obtained by Laser Vaporization of Bulk Metal[J]. Acta Phys. -Chim. Sin., 2008,24(01): 121-126
115. YE Chao; GONG Qian-Ming; LU Fang-Ping; LIANG Ji.Adsorption of Middle Molecular Weight Toxins on Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1321-1324
116. WANG Hong-Tao; HAN Kui; LI Yan.Ab Initio Study on Optoelectronic Properties of [Li…X]e-[1] (X=FH, OH2, NH3)[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1468-1472
117. 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
118. LI Guo-Hua; TIAN Wei; TANG Jun-Yan; MA Chun-An.Preparation and Electrocatalytic Property for Methanol Oxidation of WC/CNT Nanocomposite[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1370-1374
119. FU Jian-Liang; ZHANG Xing-Wang; LEI Le-Cheng.Fe-modified Multi-walled Carbon Nanotube Electrode for Production of Hydrogen Peroxide[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1157-1162
120. CHEN Xin; ZHANG Yi-Li; SU Yu-Hua; MENG Wen-Hua; XIE Qing-Ji; YAO Shou-Zhuo.EQCM Studies on Enzymatic Specific Activities of Glucose Oxidase Adsorbed on Au-electroplated and Carbon Nanotubes-modified Au Electrodes[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1201-1206
121. ZHENG Hai-Tao; LI Yong-Liang; LIANG Jian-Ying; SHEN Pei-Kang.Methanol Oxidation on Pd-based Electrocatalysts[J]. Acta Phys. -Chim. Sin., 2007,23(07): 993-996
122. Yuan Jian-Hui; Cheng Yu-Min.Effects of the Grafted Carboxyl on the Elastic Properties of Single-walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(06): 889-894
123. LU Xi; WANG Hua-Yang; CAI Zheng-Ting; FENG Da-Cheng.A New Calculation Method on the Lifetime of Feshbach Resonance States[J]. Acta Phys. -Chim. Sin., 2007,23(06): 929-931
124. KAN Rong-Rong; LIU Hong-Mei; YE Yuan-Feng; LI Peng; YIN Xing; ZHAO Jian-Wei.Properties of Oligo-polyphenylene Molecular Wires under External Electric Field[J]. Acta Phys. -Chim. Sin., 2007,23(05): 671-675
125. WANG Rui; XU Hua-Ming; LI Dan; LIANG Ji.Growth of Single-walled Carbon Nanotubes on the Given Locations for AFM Tips[J]. Acta Phys. -Chim. Sin., 2007,23(04): 565-568
126. ZHONG Qi-Ling;ZHANG Bing;DING Yue-Min;RAO Gui-Shi;WANG Guo-Fu;JIANG Yu-Xiong;REN Bin;TIAN Zhong-Qun.Microwave Radiation-Assisted Synthesis of Pt-CNTs[J]. Acta Phys. -Chim. Sin., 2007,23(03): 429-432
127. ZHANG Shu-Dong;ZHU Xiang-Jun;WANG Yan;KONG Xiang-He.Multiphoton Ionization Mass Spectrum of Methanol Clusters and Ab Initio Calculations[J]. Acta Phys. -Chim. Sin., 2007,23(03): 379-383
128. YANG Min-Hao;LIANG Tao;PENG Yu-Cai;CHEN Qing.Synthesis and Characterization of a Nanocomplex of ZnO Nanoparticles Attached to Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(02): 145-151
129. LÜ Ya-Fen;YIN Ya-Jing;WU Ping;CAI Chen-Xin.Direct Electrochemistry and Bioelectrocatalysis of Myoglobin at a Carbon Nanotube-Modified Electrode[J]. Acta Phys. -Chim. Sin., 2007,23(01): 5-11
130. QIU Kai-Dong;LI Wei-Bin.Adsorption of Hexavalent Chromium Ions on Multi-wall Carbon Nanotubes in Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2006,22(12): 1542-1546
131. WANG Hong-Tao;LI Yan;HAN Kui;ZHENG Zhi-Ren;WANG Bing-Qiang;LI Zhi-Ru .Ab Initio Study on Nonlinear Optical Properties of X…H2O(X=Li, Na, K)[J]. Acta Phys. -Chim. Sin., 2006,22(11): 1423-1426
132. LI Rui-Fang;SHANG Zhen-Feng;XU Xiu-Fang;WANG Gui-Chang .Theoretical Studies on the Growth Mechanism of Armchair Single-walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2006,22(11): 1388-1392
133. BIAN Cheng-Xiang;XU Xue-Cheng;YU Wei;CHEN Yi-Wei;CHENG Rong-Ming;SHI Yan;LI Xiang-Mei;JIN Sheng-Song.Study on Conductive Mechanism of Composites―Sulfonated Polyphenylacetylene / Multiwalled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1185-1190
134. CHU Dao-Bao;YIN Xiao-Juan;FENG De-Xiang;LIN Hua-Shui;TIAN Zhao-Wu.Electrocatalytic Oxidation of Ethanol on Pt/nanoTiO2-CNT Complex Catalysts[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1238-1242
135. 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
136. ZHOU Long-Mei;LIU Hong-Ying; LI Feng-Sheng.Y2O3 Nanoparticle/Carbon Nanotube Composite: Preparation and Catalytic Performance for Decomposition of Ammonium Perchlorate[J]. Acta Phys. -Chim. Sin., 2006,22(05): 627-630
137. YI Shuang-Ping;ZHANG Hai-Yan;PEI Lei;HU Shou-Le;ZENG Guo-Xun;CHEN Jin.Effect of CNTs Treated at Different Temperatures in Nitrogen Ambient on the Electrochemical Properties of CNTs-LaNi5 Electrodes[J]. Acta Phys. -Chim. Sin., 2006,22(04): 436-440
138. CHU Dao-Bao; ZHANG Li-Yan; ZHANG Jin-Hua; ZHANG Xiu-Mei; YIN Xiao-Juan.Heterogeneous Electrocatalytic Reduction of Furfural on Nanocrystalline TiO2-CNT Complex Film Electrode in DMF Solution[J]. Acta Phys. -Chim. Sin., 2006,22(03): 373-377
139. LI Zhi; GONG Qian-Ming; LIANG Ji; HUANG Qi-Zhong; HUANG Bai-Yun.Study on Oxidation Properties of New ACNT/C Nanocomposites[J]. Acta Phys. -Chim. Sin., 2006,22(03): 316-321
140. ZHANG Zeng-Fu; LUO Guo-Hua; FAN Zhuang-Jun; XIANG Rong; ZHOU Li; WEI Fei.Complex Permittivity and Permeability Spectra of Different Kinds of Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(03): 296-300
141. CHEN Yu; TANG Ya-wen; Kong Ling-yong; LIU Chang-peng; XING Wei; LU Tianhong.Effect of Surface Modification Extent of Carbon Nanotubes on Electrocatalytic Performance of Carbon Nanotubes Supported Pt catalyst[J]. Acta Phys. -Chim. Sin., 2006,22(01): 119-123
142. CHEN Xiao-xia; WANG Yong-cheng; Geng Zhiy-Yuan; GAO Li-guo; FANG Ran; ZHANG Xing-hui.Theoretical Study of Gas-phase Reaction of CrO2+ with H2[J]. Acta Phys. -Chim. Sin., 2006,22(01): 59-64
143. JIANG Qi; LU Xiao-ying; ZHAO Yong; ZHU Xiao-tong; CAI Yu-dong; QIAN Lan.Effects of Activation Conditions on the Specific Surface Area of Activated Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(01): 43-47
144. LI Juan; FANG Zheng-ping; WANG Jian-guo; GU Aijuan; TONG Li-fang; LIU Fu.Microstructure Transformation of Multi-walled Carbon Nanotubes during Diamine Grafting Process[J]. Acta Phys. -Chim. Sin., 2005,21(11): 1244-1248
145. CHEN Can-hui; LI Hong; ZHU Wei; ZHANG Quan-xin.The Electrochemical Behavior of Ferrocene and Its Complex with DNA[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1067-1072
146. XU Bin; WU Feng; CHEN Ren-jie; CHEN Shi; WANG Guo-qing.Capacitance Characteristics of Carbon Nanotubes in Room Temperature Molten Salt Electrolyte[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1164-1168
147. ZHOU Xiao-long; CHAI Yang; LI Ping-jian; PAN Guang-hu; SUN Hui; SHEN Ziyong; ZHANG Qi-feng; WU Jin-lei.Fabrication of Nitrogen-doped Multi-walled Carbon Nanotube and Their Field Effect Transistor Properties[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1127-1131
148. HUANG Hong-xin.Differential Accurate Fixed-node Quantum Monte Carlo Method[J]. Acta Phys. -Chim. Sin., 2005,21(06): 632-636
149. ZOU Jian-Wei; JIANG Yong-Jun; HU Gui-Xiang; ZENG Min; ZHUANG Shu-Lin; YU Qing-Sen.QSPR/QSAR Studies on the Physicochemical Properties and Biological Activities of Polychlorinated Biphenyls[J]. Acta Phys. -Chim. Sin., 2005,21(03): 267-272
150. FENG Er-Yin; HUANG Wu-Ying; DONG Shu-Bao; CUI Zhi-Feng.Theoretical Studies of Rotationally Inelastic Collisions of LiH with He[J]. Acta Phys. -Chim. Sin., 2005,21(03): 250-254
151. LI Yu-Ping;CAO Hong-Bin;ZHANG Yi.Direct Electrochemistry of Hemoglobin Immobilized on Carbon Paste Electrode Modified by Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2005,21(02): 187-181
152. WANG Xiao-Feng; WANG Da-Zhi; LIANG Ji.Pseudo-capacitance of Ultrafine Nickel Hydroxide Prepared by Sol-gel Method[J]. Acta Phys. -Chim. Sin., 2005,21(02): 117-122
153. Zhu Su-Bing;Sun Si-Xiu;Wei-Wei;Xu Jun-Jian;Li Yan.The Preparation of Nitrogen-doped Carbon Nanotubes from Pyridine[J]. Acta Phys. -Chim. Sin., 2004,20(11): 1320-1323
154. Huang Xiang-Ping;Lü Hai-Feng;Huang Xin-Tang.A Simple Chemical Method of Opening and Decorating Carbon Nanotubes by Polyvinyl Alcohol[J]. Acta Phys. -Chim. Sin., 2004,20(10): 1242-1244
155. Han Ke-Li.Nonadiabatic Dynamics with Split-Operator Scheme on Multiple Potential Energy Surfaces[J]. Acta Phys. -Chim. Sin., 2004,20(08S): 1032-1036
156. Wang Jun;Guo Ying-Chun;Yang Xiao-Hua;Wu Sheng-Hai;Liu Yu-Yan;Chen Yang-Qin.Quantum Chemical Calculation of the Excited State Potential Energy Surface of H2O Using the CASSCF Method[J]. Acta Phys. -Chim. Sin., 2004,20(08): 877-881
157. Wang Hai-Fang;Deng Xiao-Yong;Wang Jing;Gao Xing-Fa;Xing Geng-Mei;Shi Zu-Jin;Gu Zhen-Nan;Liu Yuan-Fang;Zhao Yu-Liang.XPS Study of C-I Covalent Bond on Single-walled Carbon Nanotubes (SWNTs)[J]. Acta Phys. -Chim. Sin., 2004,20(07): 673-675
158. Jiang Qi;Lu Xiao-Ying;Zhao Yong;Yu Zuo-Long.Effect of Microstructure’s Change on Electrochemical Capacitance of Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2004,20(05): 546-549
159. Mi Jun;Feng Wen-Lin;Li Hui-Ying;Liu Kun-Hui;Pu Min.Mechanism of the Reaction H+CH2CO:G2 Calculation[J]. Acta Phys. -Chim. Sin., 2004,20(05): 483-487
160. Zhang Qi-Feng;Yu Jie;Song Jiao-Hua;Zhang Geng-Min;Zhang Zhao-Xiang;Xue Zeng-Quan;Wu Jin-Lei.Fabrication of Aligned Carbon Nanotubes by a Vapor-phase Deposition Technique and Their Field Emission Properties[J]. Acta Phys. -Chim. Sin., 2004,20(04): 409-413
161. Li Huan-Jun;Guan Lun-Hui;Shi Zu-Jin;Gu Zhen-Nan.Synthesis and Characterization of C60@SWNTs[J]. Acta Phys. -Chim. Sin., 2004,20(04): 373-376
162. Deng Mei-Gen;Zhang Zhi-An;Hu Yong-Da;Wang Bin-Hua;Yang Bang-Chao.Effect of Activation and Surface Modification on the Properties of Carbon Nanotubes Supercapacitors[J]. Acta Phys. -Chim. Sin., 2004,20(04): 432-435
163. Li Lai-Cai;Qian Yi-Ming;Zhu Yuan-Qiang;Tian An-Min.Theoretical Study on the Reaction Mechanism of the CH3 Radical with HNCO[J]. Acta Phys. -Chim. Sin., 2004,20(03): 228-232
164. Wei Jin-Quan;Jiang Bin;Li Yan-Hui;Wu De-Hai.Preparation and Structure of Boron Carbide Nanowires[J]. Acta Phys. -Chim. Sin., 2004,20(03): 256-259
165. Zhu Hai-Bin;Li Zhen-Hua;Liu Zi-Yang;Wang Feng-Fei;Wang Xin-Qing;Wang-Miao.Synthesis of Carbon Nanotubes by Decomposing Alcohol[J]. Acta Phys. -Chim. Sin., 2004,20(02): 191-193
166. Niu Jia-Li;Zou Hong-Ling;Zhang Jin;Liu Zhong-Fan.Tracing the Chemical Oxidation Process of Single-walled Carbon Nanotubes by Silver Nanoparticles[J]. Acta Phys. -Chim. Sin., 2004,20(01): 1-4
167. Liu Ji-Xin;Xie You-Chang.Single-wall Carbon Nanotubes Produced by Decomposition of CH4 on W-Fe-MgO Catalysts[J]. Acta Phys. -Chim. Sin., 2003,19(11): 1093-1096
168. Li Lai-Cai;Tian An-Min.Quantum Study on the Reaction Mechanism of CH3(2A′) Radicals with Ozone Reaction[J]. Acta Phys. -Chim. Sin., 2003,19(07): 626-629
169. Wang Xiao-Feng;Wang Da-Zhi;Liang Ji.Carbon Nanotube Capacitor Materials Loaded with Different Amounts of Ruthenium Oxide[J]. Acta Phys. -Chim. Sin., 2003,19(06): 509-513
170. Zhang Wen-Xia;Tian Feng-Hui;Chen Shou-Gang;Wang Ze-Xin.Perturbation Potential of Twobody and Analytic Potential of Threeatom Interaction for Pathway Reaction of H2O[J]. Acta Phys. -Chim. Sin., 2003,19(06): 543-548
171. Zhang Song;Zhu Rong-Shu;Wang Yan-Mei;Zhang Bing.A Theoretical Calculation of the Vibrational Spectra of p-xylene and Its Cation[J]. Acta Phys. -Chim. Sin., 2003,19(06): 553-556
172. Guo Ming;Zou Jian-Wei;Zhao Wen-Na;Shang Zhi-Cai;Yu Qing-Sen.Relationships between Solvent Molecule Tridimensional Electrostatic Potentials and Solubilities of Fullerene(C60) in Organic Solvents[J]. Acta Phys. -Chim. Sin., 2003,19(05): 432-435
173. Piao Ling-Yu;Li Yong-Dan.Structure of Carbon Nanotubes from Decomposition of Methane on an Aerogel Catalyst[J]. Acta Phys. -Chim. Sin., 2003,19(04): 347-351
174. Wang Yao;Wu Jun;Wei Fei;Jin Yong.Breaking and Flocculating Purification of Thin-long Carbon Nanotubes from Carbon Fibers[J]. Acta Phys. -Chim. Sin., 2003,19(04): 376-379
175. Liu Sai-Jin;Shen Zi-Yong;Hou Shi-Min;Gu Zhen-Nan;Xue Zeng-Quan.Study on the Manipulation of Carbon Nanotubes with Atomic Force Microscopy[J]. Acta Phys. -Chim. Sin., 2003,19(03): 233-236
176. Zheng Qing-Rong;Gu An-Zhong;Lin Wen-Sheng;Li Ming;Lu Xue-Sheng.Theoretical Study on the Adsorbed Hydrogen Molecules on Multi-Walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2003,19(02): 139-143
177. Wang Jin;Chen Hong-Bo;Yun Hong;Lin Jing-Dong;Yi Jun;Zhang Hong-Bin;Liao Dai-Wei.Study on Rh-ZnO/MWNTs Catalyst for Methanol Synthesis[J]. Acta Phys. -Chim. Sin., 2003,19(01): 65-69
178. Zhou Zhen-Hua;Wu Xiao-Man;Wang Yi;Lin Guo-Dong;Zhang Hong-Bin.Characteristics of Adsorption and Desorption of Hydrogen on Multi-walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2002,18(08): 692-698
179. Ji Yong-Qiang;Feng Wen-Lin;Hao Mao-Rong;Li Hui-Ying.The Reaction Path and Varitional Rate Constant of the Reaction CH3+CH3NO2→CH4+CH2NO2[J]. Acta Phys. -Chim. Sin., 2002,18(08): 721-726
180. Zhao Wen-Na;Zou Jian-Wei;Shang Zhi-Cai;Guo Ming;Yu Qing-Sen.A QSPR Study on n-Octanol/Water Partition Coefficient of Disubstituted Benzenes:Application of Theoretical Descriptors Derived from Electrostatic Potentials[J]. Acta Phys. -Chim. Sin., 2002,18(07): 600-603
181. Li Hui-Ying;Feng Wen-Lin;Ji Yong-Qiang;Xu Zhen-Feng;Lei Ming.The Reaction Path and Variational Rate Constant of the Hydrogen Abstraction Reaction CH2O+O[3P]→CHO+OH[J]. Acta Phys. -Chim. Sin., 2002,18(05): 446-450
182. Xu Xuan;Xu Zhi-Guang;Luo Yi-Fan.Ab Inito Study on δ 1HNMR and δ 13CNMR of Taxol and It′s Molecular Geometry[J]. Acta Phys. -Chim. Sin., 2002,18(05): 420-425
183. Zou Hong-Ling;Yang Yan-Lian;Wu Bin;Qing Quan;Li Qing-Wen;Zhang Jin;Liu Zhong-Fan.Purification and Characterization of SingleWalled Carbon Nanotubes Synthesized by Chemical Vapor Deposition[J]. Acta Phys. -Chim. Sin., 2002,18(05): 409-413
184. 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
185. Liang Kui;Chen Ai;Feng Zhe-Sheng;Ye Zhi-Xiang.AC Impedance Analysis of Supercapacitors Utilizing Carbon Nanotube Electrodes[J]. Acta Phys. -Chim. Sin., 2002,18(04): 381-384
186. Yang E;Zhou Li-Xin;Zhang Yong-Fan.Theoretical Study on the Interaction between β-D-ribose(RI) and Bivalent and Monovalent Cations[J]. Acta Phys. -Chim. Sin., 2002,18(03): 253-259
187. Xia Shu-ei;Sui Wei-ing;Chen Guo-hua;Xia Shao-u.Theoretical Studies on the Structures and the Vibration Spectra of Carboxymethylchitosan and Its Derivatives[J]. Acta Phys. -Chim. Sin., 2002,18(03): 248-252
188. Wang Ze-Xin;Chen Shou-Gang;Qiao Qing-An;Zhang Wen-Xia.Adsorption Dynamics of Oxygen Atom and Hydroxyl Radical on Low Index Nickel Surfaces[J]. Acta Phys. -Chim. Sin., 2001,17(11): 1006-1012
189. Wei Zhong;Chen Yan;Liu Zhong-Fan.CVD Synthesis and Diameter Distribution of SingleWalled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2001,17(08): 718-722
190. 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
191. Liu Jian-Jun;Feng Ji-Kang;Fu Wei;Ren Ai-Min;Liu Gui-Xia.Potential Energy Surface of 1CH2+N2O Reaction[J]. Acta Phys. -Chim. Sin., 2001,17(07): 586-593
192. Cai Meng-Qiu;Tang Bi-Yu;Yang Guo-Wei;Yang Yi-Ming;Han Ke-Li.Rotational Alignment of the Reaction Sr+HF as a Function of Collision Energies[J]. Acta Phys. -Chim. Sin., 2001,17(06): 521-525
193. Nan Xiao-Lin;Zhang Jin;Liu Zhong-Fan;Shi Zu-Jin;Gu Zhen-Nan.Patterned Assembly of Shortened SingleWalled Carbon Nanotubes on Gold Surface[J]. Acta Phys. -Chim. Sin., 2001,17(05): 393-396
194. Wang Sheng-Long;Qu Jun-Yan;Guo Rui;Zhao Xin-Sheng.Ab Initio Potential Curve for ArH[J]. Acta Phys. -Chim. Sin., 2001,17(04): 289-291
195. Gu Xi-Bin, Wang Guang-Jun, Huang Jian-Hua, Chen Mao-Du, Han Ke-Li, He Guo-Zhong, Lou Nan-Quan.Photodissociation of 1-bromo-3-fluorobenzene and 1-bromo-4-fluorobenzene at 266 nm[J]. Acta Phys. -Chim. Sin., 2000,16(12): 1062-1066
196. Wu Guo-Hua, Sheng Liu-Si, Zhang Yun-Wu, Gao Hui, Chen Zu-Yao.Photoionization and Photodissociative lonization of Azoxybenzene(C12H10N2O) by Vacuum Ultraviolet Synchrotron Radiation (SR)[J]. Acta Phys. -Chim. Sin., 2000,16(10): 948-951
197. Chen Bo-Zhen, Huang Ming-Bao, Su Hong-Mei, Kong Fan-Ao.Mechanism of the CH2+O2 Reaction[J]. Acta Phys. -Chim. Sin., 2000,16(10): 869-872
198. Li Xiu-Lan, Liu Wei-Min, Xue Zeng-Quan, Li Jian-Chang, Hou Shi-Min, Zhang Zao-Li, Peng Lian-Mao, Shi Zu-Jin, Gu Zhen-Nan.Transition from Carbon Nanotubes to Diamond Nanocrystals[J]. Acta Phys. -Chim. Sin., 2000,16(09): 772-775
199. Zhang Dong-Ju, Hu Hai-Quan, Liu Yong-Jun, Bu Yu-Xiang, Liu Cheng-Bu.Theoretical Study of Self-Exchange Electron Transfer Renctions for Co(H2O)62+/3+ System[J]. Acta Phys. -Chim. Sin., 2000,16(09): 855-859
200. Su Ke-He, Wei Jun, Hu Xiao-Ling, Yue Hong, Lv Ling, Wang Yu-Bin, Wen Zhen-Yi.High-level Ab Initio Energy Divergences between Theoretical Optimized and Experimental Geometries[J]. Acta Phys. -Chim. Sin., 2000,16(08): 718-723
201. Wu Hai-Shun, Xu Xiao-Hong, Zhang Cong-Jie.Structure and Bonding Properties of Pyramidal B5H10X[J]. Acta Phys. -Chim. Sin., 2000,16(07): 627-631
202. Cao Xiao-Yan, Wu Wei, Wang Dong, Ge Mao-Fa, Wang Dian-Xun.Hel Photoelectron Spectroscopic Study on the Electronic Structure of the Derivatives of 1,2,5-thiadiazole[J]. Acta Phys. -Chim. Sin., 2000,16(06): 491-495
203. Lei Ming, Feng Wen-Lin, Xu Zhen-Feng.Theoretical Study on Some Elementary Reactions of the Olefin Hydroformylation Cycle Catalyzed by Carbonyl Cobalt[J]. Acta Phys. -Chim. Sin., 2000,16(06): 522-526
204. Hou Hua, Wang Bao-Shan, Gu Yue-Shu.Mechanism and Kinetics of the F+NCO Reaction[J]. Acta Phys. -Chim. Sin., 2000,16(06): 517-521
205. Shi Tu-Jin, Liu Li, Yang Da-Lin, Zhu Qi-He.Ab initio Study on Hydrogen Bonding Clusters between 1,4-dioxane and Ammonia[J]. Acta Phys. -Chim. Sin., 2000,16(05): 416-421
206. Kuang Ping-Xian, Chen Bo-Zhen, Huang Ming-Bao.Mechanism of the C(3P)H2S Reaction[J]. Acta Phys. -Chim. Sin., 2000,16(05): 389-392
207. 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
208. Meng Ling-Peng, Zheng Shi-Jun, Cai Xin-Hua.Theoretical Studies in the Reaction of Atomic O(3P) with CS2[J]. Acta Phys. -Chim. Sin., 1999,15(11): 990-996
209. Li Shu-Jin, Cao Yang, Feng Jian-Wen, Shi Wei-Ping, Zhou Wei-Qun.Calculation of Band Structures of PPY and PMPY[J]. Acta Phys. -Chim. Sin., 1999,15(10): 890-894
210. Liu Dan, Chen Guang-Ju, Liu Ruo-Zhuang, Fu Xiao-Yuan.Exploration of the Mechanism of 2-bromoacetic Acid Gas-phase Elimination Process[J]. Acta Phys. -Chim. Sin., 1999,15(10): 872-876
211. Wu Guo-Hua, Sheng Liu-Si, Gao Hui, Zhang Yun-Wu.Studies on p-aminoazobenzene(C12H11N3)Using Photoionization Mass Spectrum with Synchrotron Radiation(SR)[J]. Acta Phys. -Chim. Sin., 1999,15(09): 860-864
212. Yang Ming-Li, Sun Ze-Min, Yan Guo-Sen.Nonlinear Optical Properties of Polyurea[J]. Acta Phys. -Chim. Sin., 1999,15(08): 693-697
213. Wang Zhen, Zhang Hao-Li, Li Hu-Lin.Self-assembly Behavior of Azobenzene Derivative β-Cyclodextrin Inclusion Complex on Gold[J]. Acta Phys. -Chim. Sin., 1999,15(07): 606-612
214. Chen Jie-Hao, Wang Yan, Feng Wen-Lin.Mechanism of Pyrolysis of Pyruvic Acid and Benzoylformic Acid and Calculations of Thermal Rate Constants[J]. Acta Phys. -Chim. Sin., 1999,15(05): 431-435
215. He Li-Zhen, Chen Guang-Ju, Liu Ruo-Zhang.Investigation of the Thermal Reaction of Propene Forming Methylcyclopentane[J]. Acta Phys. -Chim. Sin., 1999,15(04): 308-312
216. Shi Tu-Jin, Li Zong-He, Liu Ruo-Zhuang.Mechanism of Reaction HNCO+OH->H2O+NCO[J]. Acta Phys. -Chim. Sin., 1999,15(03): 247-252
217. Zheng Kang-Cheng, Chen Zhong-Ning, Huang Jia-Duo, Liu Han-Qin.Ab Initio Calculation on Oxamidato-bridged Binuclear Copper(II) Complex as Structural Unit[J]. Acta Phys. -Chim. Sin., 1999,15(03): 204-209
218. 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
219. Xue Ying, Xie Dai-Qian, Yan Guo-Sen.Ab Initio Study on the Vibrational Spectrum of Fluorine Fluorosulfate[J]. Acta Phys. -Chim. Sin., 1999,15(02): 138-142
220. Wang Yi-Gui, Sun Chang-Jun, Cai Zheng-Ting, Deng Cong-Hao.Ab initio Study on Alkali Metal Enolates CH2=CH(OM)[J]. Acta Phys. -Chim. Sin., 1999,15(02): 116-120
221. Lu Xiu-Hui, Liu Cheng-Bu, Deng Cong-Hao.Theoretical Study on Mechanism of Cycloaddition Reaction of Difluorosilylene with Formaldehyde[J]. Acta Phys. -Chim. Sin., 1999,15(01): 78-81
222. Zhang Yan-Jun, Li Zong-He, Cao Xiao-Yan.Calculation on the Dynamics and Vibrational State Distribution of Product CN for the Reaction Hydrocyanic Acid and Chlorine[J]. Acta Phys. -Chim. Sin., 1999,15(01): 10-14
223. Hu Hai-Quan, Liu Cheng-Bu.The Reaction Mechanism of the Biradical CF2 and O3[J]. Acta Phys. -Chim. Sin., 1998,14(12): 1104-1107
224. Zou Jian-Wei, Yu Qing-Sen, Zhu Long-Guan.Theoretical Calculations of the Substituent Effects on the Tautomeric Equilibrium of 6-X-2(1H)-pyridones[J]. Acta Phys. -Chim. Sin., 1998,14(11): 1040-1042
225. Shao Hui-Bo, Yu Hua-Zhong, Cheng Guang-Jun, Zhang Hao-Li, Liu Zhong-Fan.Study of the Formation Process of an Azobenzene Self-assembled Monolayer on Gold Surface[J]. Acta Phys. -Chim. Sin., 1998,14(09): 846-851
226. Shao Hui-Bo, Yu Hua-Zhong, Zhang Hao-Li, Luo Ying, Cheng Guang-Jun, Liu Zhong-Fan.State of the Tunneling Mechanism for Long Range Electron Transfer in Azobenzene Self-assembled Monolayers[J]. Acta Phys. -Chim. Sin., 1998,14(09): 772-777
227. Lu Xiu-Hui, Wang Yi-Xuan, Deng Cong-Hao.Theoretical Study on the Cycloaddition Reaction of Dichlorocarbene and Formaldehyde[J]. Acta Phys. -Chim. Sin., 1998,14(09): 784-788
228. Zhou Li-Xin, Huang Zun-Xing, Tian An-Min, Wu Li-Ming, Hu Jian-Ming, Li Jun-Jian.Ab initio Study on the Relative Stability of C4Sm-4[J]. Acta Phys. -Chim. Sin., 1998,14(08): 752-756
229. Hu Hai-Quan.Mechanism of the Isomerization of Nitryl Hydride[J]. Acta Phys. -Chim. Sin., 1998,14(06): 544-547
230. Zheng Kang-cheng, Rao Huo-Feng, He Feng, Xu Zhi-Tao, Liu Han-Qin.Ab initio Calculations of 1,2-Bidentate Thiolato Complexes of Fe,Co and Ni[J]. Acta Phys. -Chim. Sin., 1998,14(04): 299-304
231. Lu Xiu-Hui, Wang Yi-Xuan, Deng Cong-Hao.A Theoretical Study on the Cycloaddition Reaction of Silylene and Ethylene[J]. Acta Phys. -Chim. Sin., 1998,14(04): 332-336
232. Guo Jian-Xin, Wang Yan-Ni, Zhang Qi-Yuan.The Inner-sphere Electron Transfer from Benzenitrile Anion Radical to Carbon Dioxide[J]. Acta Phys. -Chim. Sin., 1998,14(03): 193-197
233. Zhang Yu,Wu Fan-Xin,Zhang Hong-Bin,Lin Guo-Dong,Yuan You-Z.Hydroformylation of Propene over Carbon Nanotubes-Supported Rh-Catalyst[J]. Acta Phys. -Chim. Sin., 1997,13(12): 1057-1060
234. Xu Xiao-Hong,Wu Hai-Shun,Zhang Cong-Jie,Zhou Wei-Liang.Structure and Bonding Properties of B2Be2 Cluster[J]. Acta Phys. -Chim. Sin., 1997,13(12): 1065-1071
235. Lv Xin,Xu Xin,Wang Nan-Qin,Liao Meng-Sheng,Zhang Qian-Er.Cluster Modelling of CO Chemisorption on Cu/ZnO[J]. Acta Phys. -Chim. Sin., 1997,13(11): 1005-1009
236. Xian Hui,Xie Dai-Qian,Yan Guo-Sen.A Theoretical Study of the Potential Energy Surface and the Vibrational Excited States for O3[J]. Acta Phys. -Chim. Sin., 1997,13(10): 865-867
237. 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
238. 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
239. Wang Zhi-Xiang,Huang Ming-Bao,Liu Ruo-Zhuang.Ab initio Study on the Reaction of CH Radical with O2[J]. Acta Phys. -Chim. Sin., 1997,13(05): 385-388
240. Wu Hai-Shun,Xu Xiao-Hong,Zhang Cong-Jie,Zhou Wei-Liang.Theoretical Study on the Structures and Stabilization of Metallic Borides[J]. Acta Phys. -Chim. Sin., 1997,13(03): 258-263
241. Zhao Jian-Wei,Yu Hua-Zhong,Wang Yong-Qiang,Zhang Hao-Li,Liu Z.Structure-Dependent Electron Transfer Kinetics of Azobenzene Self-Assembled Monolayers on Gold[J]. Acta Phys. -Chim. Sin., 1997,13(01): 42-47
242. Ding Fu-Jiang,Zhang Liang-Fu,Su Ke-He.Ab-Inito Study on HNNH3[J]. Acta Phys. -Chim. Sin., 1996,12(11): 1006-1010
243. Wang Yu-Huang,Zhang Qiang,Liu Zhao-Yang,Huang Rong-Bin,Zheng Lan-Sun.Production of Carbon Nanotubes at Carbon/Water Interface by Pulsed-Laser Ablation[J]. Acta Phys. -Chim. Sin., 1996,12(10): 905-909
244. Zhang Ji-Shu,Zhang Wen-Xia,Wang Ze-Xin.Adsorption and Diffusion of Hydrogen Atom on Pd Loe Index Surfaces[J]. Acta Phys. -Chim. Sin., 1996,12(09): 773-779
245. Zhou Li-Xin,Tian An-Min,Yan Guo-Sen.Ab initio of 1,2-diseleno-3,4-dithiosquaric Acid[J]. Acta Phys. -Chim. Sin., 1996,12(08): 684-687
246. Zhao Jian-Wei,Yu Hua-Zhong,Wang Yong-Qiang,Tang Ming,Cai Sheng-Min,Liu Zhong-Fan.The Adsorption Kinetics and Characterization of Azobenzene Self-Assembled Monolayers on Gold[J]. Acta Phys. -Chim. Sin., 1996,12(07): 581-588
247. Pang Xian-Yong,Feng Wen-Lin,Wang Yan,Zhang Shao-Wen.Theoretical Study on the Singlet-state and the Triplet-state Mechanisms for the Reaction CH3O with NO[J]. Acta Phys. -Chim. Sin., 1996,12(05): 391-395
248. Su Ke-He,Wen Zhen-Yi,Hu Xiao-Ling,Li Xiu-,Y,Wang Yu-Bin.High-level ab initio Calculation and Assessment of the Dissociation and Lonization Energies of NH2 and NH3 Neutrals or Cations[J]. Acta Phys. -Chim. Sin., 1996,12(05): 385-390
249. Liu Tian-Jun,Wu Shi-Kang.The Photoisomerization of Azobenzene for Regulating the Complex Behavior of Viologen with Eosin[J]. Acta Phys. -Chim. Sin., 1996,12(04): 329-336
250. Wang Zhi-Xiang,Liu Ruo-Zhuang,Huang Ming-Bao.A Theoretical Study on the NfCl Radical[J]. Acta Phys. -Chim. Sin., 1996,12(02): 105-108
251. Li Guang-Ping, Zhang Hua-Bei, Tian An-Min, Yan Guo-Sen.Theoretical Investigation of AlCn and AlC+n n=1-4 Series[J]. Acta Phys. -Chim. Sin., 1995,11(03): 211-217
252. Liao Jie-Lou;Xin Hou-Wen.Theoretical Study on Topological Structures Losing Stability and Bifurcations of Reactive Paths on A+B2 Reactive Potential Energy Surface[J]. Acta Phys. -Chim. Sin., 1995,11(03): 247-251
253. Zhang Shao-Wen, Fu Xiao-Yuan.A Theoretical Study on the Thermo Decomposition of HNCO to HNCNH and CO2[J]. Acta Phys. -Chim. Sin., 1994,10(11): 1004-1008
254. Zhao Mei-Shan.Quantum Dynamics Calculations in Reaction of Cl with H2 on SPK Potential Energy Surface[J]. Acta Phys. -Chim. Sin., 1994,10(09): 818-824
255. Chen Bao-Ji, Chen De-Zhan, Liu Feng-Ling, Ning Shi-Guang.An Ab initio Study on a New Pathway for the Synthesis of Oxirane[J]. Acta Phys. -Chim. Sin., 1994,10(07): 591-596
256. Zhang Jing-Lai, Cao Ze-Xing, Gu Jian-De, Tian An-Min, Yan Guo-Sen.Electronic Structure for the Ground and Excited Satate of Si2[J]. Acta Phys. -Chim. Sin., 1994,10(05): 396-398
257. Liu Ruo-Zhuang; Ma Si-Yu; Li Zong-He.Theoretical Study on the Dynamic Properties and State-Selected rate Constants of the Reaction CH(4Σ-)+H2→CH2(3B1)+H[J]. Acta Phys. -Chim. Sin., 1993,9(02): 155-160
258. Ding Fu-Jiang; Zhang Liang-Fu; Li Guang-Nian.Improvement of Approximate Calculations Based on Semiorthogonalized Orbitals[J]. Acta Phys. -Chim. Sin., 1992,8(03): 307-312
259. XIA Kai-Lun, JIAN Mu-Qiang, ZHANG Ying-Ying.Advances in Flexible Conductors Based on Nanocarbon Materials[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
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