Article
Isomerization and Conformation Transformation of Triazane
MAO Shuang; TAN Ying-Xiong; PU Xue-Mei; LI Lai-Cai; TIAN An-Min
College of Chemistry and Materials Science, Sichuan Normal University, Chengdu 610068, P. R. China; Colloege of Chemistry, Sichuan University, Chengdu 610064, P. R. China
College of Chemistry and Materials Science, Sichuan Normal University, Chengdu 610068, P. R. China; Colloege of Chemistry, Sichuan University, Chengdu 610064, P. R. China
Isomerization mechanism and conformation transformation of triazane were studied by quantum chemistry computation. The relationship between the energy and the conformation was obtained by a relaxed scan for all possible dihedral angles of triazane. By means of atoms in molecules (AIM) computation, the increase and decrease of the charge density of bond critical point and the positive and negative variation of its Laplace value induced by conformation can be obtained, which may provide clear information for the change, break, and formation of the nitrogen-nitrogen or nitrogen-hydrogen bond. Nature bond orbital (NBO) analysis revealed that the energy of isomer was increased by the steric effects, and it is decreased by the hyperconjugation effects. The relative stabilities of isomers can be attributed to the steric and hyperconjugation effects.
Keywords: Triazane Isomerization Conformation AIM NBO
Received: 2007-12-24 Accepted: 2008-02-27 Publication Date (Web): 2008-04-21
Corresponding Authors: MAO Shuang Email: m_yuxiao@yahoo.com.cn
Cite this article: MAO Shuang; TAN Ying-Xiong; PU Xue-Mei; LI Lai-Cai; TIAN An-Min. Isomerization and Conformation Transformation of Triazane[J]. Acta Phys. -Chim. Sin., 2008,24 (06): 981-986. doi: 10.3866/PKU.WHXB20080611
Keywords: Triazane Isomerization Conformation AIM NBO
Received: 2007-12-24 Accepted: 2008-02-27 Publication Date (Web): 2008-04-21
Corresponding Authors: MAO Shuang Email: m_yuxiao@yahoo.com.cn
Cite this article: MAO Shuang; TAN Ying-Xiong; PU Xue-Mei; LI Lai-Cai; TIAN An-Min. Isomerization and Conformation Transformation of Triazane[J]. Acta Phys. -Chim. Sin., 2008,24 (06): 981-986. doi: 10.3866/PKU.WHXB20080611
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101． Ma Si-Yu; Feng Wen-Lin.Theoretical Study on the Tautomeric Reaction of Acetaldehyde Into Vinyl Alcohol and Ketene Into Ethynol[J]. Acta Phys. -Chim. Sin., 1992,8(05): 654-658
102． Zhuo Ji-Cang; Hu Jia-Ping; Wang Kui.Conformation of Bile Salt-Bilirubin-Ca2+ Ternary Complexes[J]. Acta Phys. -Chim. Sin., 1992,8(03): 389-393
103． Li An-Zhi; Ding Mei; Yu Hai-Ying; Zhang Jiang-Ying.The Effect of Metal Ions of Differentvalences on Conformation of DNA Molecules[J]. Acta Phys. -Chim. Sin., 1992,8(02): 207-211
104． 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
105． SHEN Hong-Chen, DING Ji-Yong, LI Li, LIU Fu-Feng.Effect of Y220C Mutant on the Conformational Transition of p53C Probed by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
2． DING Wan-Jian, FANG Wei-Hai, CHAI Zhi-Fang, WANG Dong-Qi.Performance of Twelve Density Functional Theory Methods in the Characterization of Three Trivalent Uranium Complexes[J]. Acta Phys. -Chim. Sin., 2015,31(7): 1283-1301
3． YUAN Shu-Wei, LÜ Rong, YU An-Chi.Photoisomerization Kinetics of IR125 and HDITCP in Ionic Liquids with Different Cation Alkyl Chain Lengths[J]. Acta Phys. -Chim. Sin., 2014,30(5): 987-993
4． YU Hai-Ling, ZHANG Meng-Ying, HONG Bo, CHENG Zhi Qiang, WANG Jiao, TIAN Dong-Mei, QIU Yong-Qing.Nonlinear Optical Properties of Green Fluorescent Protein Chromophore Coupled Diradicals[J]. Acta Phys. -Chim. Sin., 2013,29(12): 2543-2550
5． ZHANG Jin-Gui, QIAN Wei-Zhong, TANG Xiao-Ping, SHEN Kui, WANG Tong, HUANG Xiao-Fan, WEI Fei.Influence of Catalyst Acidity on Dealkylation, Isomerization and Alkylation in MTA Process[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1281-1288
6． ZHANG Bing-Bing, ZHAO Cong, WANG Xue-Song, HE Lei, DU Wei-Hong.Effects of 4-Hydroxyproline Stereochemistry on α-Conotoxin Solution Conformation[J]. Acta Phys. -Chim. Sin., 2013,29(05): 1080-1087
7． BAI Shu, LI Hao, ZHANG Lin.Standing Orientation of Lysozymes Induced by Electrostatically Repulsive Surface[J]. Acta Phys. -Chim. Sin., 2013,29(04): 849-857
8． 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
9． DONG Xiao-Yan, DU Wen-Jie, LIU Fu-Feng.Molecular Dynamics Simulation and Binding Free Energy Calculation of the Conformational Transition of Amyloid Peptide 42 Inhibited by Peptide Inhibitors[J]. Acta Phys. -Chim. Sin., 2012,28(11): 2735-2744
10． 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
11． LIU Cheng-Yong, YAN Jian-Xin, LIN Yi-Ji, LI Dan, FANG Xue-Ming, ZHANG Hui.Mirror Symmetry Breaking of cis-[Ni(NCS)2tren]: Special Chiral Conformations of Chelate Rings[J]. Acta Phys. -Chim. Sin., 2012,28(02): 257-264
12． ZHANG Xiao-Hong, GUO Hong-Rui, JIAO Zhi, YAN Wei-Wei, RUAN Wen-Juan, ZHU Zhi-Ang.Weak Interactions in Asymmetric Porphyrin Systems[J]. Acta Phys. -Chim. Sin., 2011,27(04): 774-780
13． CAO Yun-Zhu, WEI Dong-Ming, REN Dong-Xue, CHEN Chen, XING Yong-Heng, SHI Zhan.Design, Synthesis and Mimic Catalytic Activity of a Vanadium Haloperoxidase Conformation Model Molecule[J]. Acta Phys. -Chim. Sin., 2011,27(03): 539-546
14． MU Dan, ZHOU Yi-Han.Molecular Dynamics Simulation of the Adsorption and Diffusion of a Single Hydrophobic Polymer Chain on a Hydrophobic Surface[J]. Acta Phys. -Chim. Sin., 2011,27(02): 374-378
15． JIN Shu-Ping, FENG Lei, HE Wen-Yan, HAN Yu-Qi, WEI Yu-Juan.Preparation and Release Behavior in vitro of Aspirin/Chitosan Nanospheres by Nucleation and Ionic Crosslinking in Emulsion[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2581-2588
16． LI Na, ZHOU Jian-Zhang, LIN Ling-Ling, HAN Nan-Nan, LIN Zhong-Hua.Au Nanoparticles Based Colorimetric Detection of Conformational Changes in Cytochrome c[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2468-2472
17． SONG Hua, DONG Peng-Fei, ZHANG Xu.Effect of Al Content on the n-Pentane Isomerization of the Solid Superacid Pt-SO2-4 /ZrO2-Al2O3[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2229-2234
18． XIE Ling-Hai, CHANG Yong-Zheng, GU Ju-Fen, SUN Rui-Juan, LI Jie-Wei, ZHAO Xiang-Hua, HUANG Wei.Design of Organic/Polymeric π-Semiconductors: the Four-Element Principle[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1784-1794
19． SHEN Qian, GAN Lin, LIU Song, CAO Yang, WANG Zhen-Xing, HUI Jing-Shu, GUO Xue-Feng.Reversible Photomodulation of Organic Transistor Performance by Conformation-Induced Capacitive Coupling[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1941-1946
20． GE Fang, CAO Rui-Guo, ZHU Bin, LI Jing-Jian, XU Dong-Sheng.DNA Electrochemical Biosensor for Trace Hg2+ Detection[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1779-1783
21． CHEN Lie, CHEN Yi-Wang, YAO Kai, ZHOU Wei-Hua, LI Fan, NIE Hua-Rong.Synthesis and Helical Conformation of New Optically Active Liquid Crystalline Polythiophene Containing Cyanoterphenyl Mesogen Pendant[J]. Acta Phys. -Chim. Sin., 2010,26(04): 971-980
22． YIN Guo-Wei, WEI Wei, XU Jia, LI Zhi-Fen, WANG Bao-Huai, DU Wei-Hong.Interaction of Nickel(II) with Yeast Alcohol Dehydrogenase[J]. Acta Phys. -Chim. Sin., 2010,26(04): 1107-1112
23． MAO Xiao-Bo, WANG Chen-Xuan, LIU Lei, MA Xiao-Jing, NIU Lin, YANG Yan-Lian, WANG Chen.Study on the Fine Structure of Polypeptides at Solid-Liquid Interfaces by Scanning Tunneling Microscopy[J]. Acta Phys. -Chim. Sin., 2010,26(04): 850-861
24． HE Jie, FAN Yi-Ning.Dispersion and Acidity of Niobia on Nb2O5/γ-Al2O3[J]. Acta Phys. -Chim. Sin., 2010,26(03): 679-684
25． LI Zhi-Feng, ZHU Yuan-Cheng, ZUO Guo-Fang, TANG Hui-An, LI Hong-Yu.Structures and Characteristics of the Abnormally Blue-Shifted Single-Electron LithiumBond Complexes Y…Li—CH3[Y=CH3, CH2CH3, CH(CH3)2, C(CH3)3] System[J]. Acta Phys. -Chim. Sin., 2010,26(02): 429-435
26． 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
27． 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
28． 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
29． LIU Kun, TANG Fei, WANG Xiao-Hao, WEI Xue-Ye, XIONG Ji-Jun.Novel Chemical Ion Source for a High-Field Asymmetric Waveform Ion Mobility Spectrometer Used under Ambient Conditions[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1662-1670
30． HUANG Xiao-Xuan, XU Xuan.Ir-Hg Interactions and the Nature of Redox Reactions in Ir(CO)Cla(Ph2Ppy)2HgClb(HgCl2)c (a, b=1, 2|c=0, 1)[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1362-1366
31． 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
32． WU Xiao-Min, ZU Yuan-Gang, YANG Zhi-Wei, FU Yu-Jie, ZHOU Li-Jun, YANG Gang.Temperature-Controlled Molecular Dynamics Studies on the Folding Mechanism of the Tubulin Active Peptides[J]. Acta Phys. -Chim. Sin., 2009,25(04): 773-782
33． LI Wen-Zuo; CHENG Jian-Bo; LI Qing-Zhong; GONG Bao-An; SUN Jia-Zhong.Structures and Isomerization Reactions of the Germylenoid H2GeClMgCl in Solution[J]. Acta Phys. -Chim. Sin., 2009,25(01): 121-125
34． ZHANG Hai-Quan; YANG Bing; YANG Guang-Di; MA Yu-Guang.Investigation on Conformation of a Series of Functional Bridged Biphenyl Containing Seven-Member Heterocycle by X-ray Single Crystal Diffraction[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1879-1883
35． HU Jian-Ping; KE Guo-Tao; CHANG Shan; CHEN Wei-Zu; WANG Cun-Xin.Conformational Change of HIV-1 Viral DNA after Binding with Integrase[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1803-1810
36． 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
37． TIAN Zhen-Ning; XU Xuan.Theoretical Study on the Isomers of [M(CO)3(PPh2py)2] (M=Fe, Ru) Complex[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1482-1486
38． LI Yan-Wei; YAO Jin-Huan; YANG Chuan-Lu.Electron Transport Properties of DiphenylacetyleneMolecular Wire[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1445-1450
39． CUI Bao-Qiu; GONG Li-Dong; ZHAO Dong-Xia.Molecular Dynamics Simulation of Microperoxidase in Aqueous Solution in Terms of the ABEEM/MM Method[J]. Acta Phys. -Chim. Sin., 2008,24(06): 1035-1040
40． LI Wen-Zuo; CHENG Jian-Bo; GONG Bao-An; YU Jian-Kang; SUN Jia-Zhong.Structures and Isomerization Reactions of the Silylenoid H2SiClBeCl[J]. Acta Phys. -Chim. Sin., 2008,24(05): 901-904
41． 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
42． 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
43． LI Qin-Yu; XU Xuan.Fe—Hg Interactions and 31P Chemical Shifts in [Fe(CO)3(PPh2R)2(HgCl2)] (R=pym, fur, py, thi)[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1875-1880
44． LI Wen-Zuo; TAN Hai-Na; XIAO Cui-Ping; GONG Bao-An; CHENG Jian-Bo.DFT Study on the Unsaturated Germylenoid H2C=GeLiCl[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1811-1814
45． ZHOU Jun-Hong; ZENG Yan-Li; ZHANG Xue-Ying; MENG Ling-Peng; ZHENG Shi-Jun.Reaction Mechanisms and Topological Studies of Electron Density for IClO2 Isomerization[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1229-1234
46． ZHANG Zhong; XU Xuan; ZUO Xiao-Xi; LI Wei-Shan.Stabilizing Effect of Amine on SmallMolecules in Electrolyte of LithiumBatteries[J]. Acta Phys. -Chim. Sin., 2007,23(04): 526-530
47． ZHANG Cheng-Gen;LI Wen-Zuo;HUANG Ming-Bao.Reaction of Methyl Alcohol with Thionyl Chloride in Solution[J]. Acta Phys. -Chim. Sin., 2007,23(03): 399-403
48． WANG Chao-Jie;LI Yong;YANG Xin-Yu;LIN Li.Conformers and Properties of Proline[J]. Acta Phys. -Chim. Sin., 2007,23(03): 305-310
49． 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
50． LIANG Wan-Chun;LI Hao-Ran;HU Xing-Bang;HAN Shi-Jun.Density Functional Studies on Formamide′s Water-influenced Proton Transfer in Solution[J]. Acta Phys. -Chim. Sin., 2006,22(07): 797-803
51． LI Wen-Zuo;GONG Bao-An;CHENG Jian-Bo.DFT Study on the Unsaturated Silylenoid H2C=SiNaF[J]. Acta Phys. -Chim. Sin., 2006,22(06): 653-656
52． WANG Wen-qing; MIN Wei; GONG Yan.Temperature- induced Phase Transitions in Chiral Amino Acids——Search of Spontaneous Parity- Breaking and Restoration[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1186-1194
53． 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
54． WANG Shu-jun; LUO Dai-bing; RUAN Wen-juan; ZHU Zhi-ang; MA Yi.Nonlinear Optical Properties and Conformational Study on Molecular Recognition of Imidazole Derivatives by Chiral Zinc Porphyrins[J]. Acta Phys. -Chim. Sin., 2005,21(08): 834-839
55． Yang Bing; Zhang Hai-Quan; Xu Hai; Zheng Yan; Yu Jing-Sheng; Ma Yu-Guang; Shen Jia-Cong.A Theoretical Investigation of Conformation and Electronic Structure of Poly(m-phenylene) and Its Derivatives[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1476-1480
56． Liu Shou-Xin;Liu Ming-Zhu.Fluorescence Probe Studies on the Conformation Behavior of P(DEAM-co-MAA) in Dilute Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2004,20(05): 478-482
57． Ning Bin;Fan Lou-Zhen;Zheng Li-Ping;Cao Yong;Guo Zhi-Xin.Electrochemical Properties of Methanofullerenes[J]. Acta Phys. -Chim. Sin., 2003,19(10): 917-921
58． Yu Yong-Hui;Li Chun-Hua;Lu Ben-Zhuo;Chen Wei-Zu;Wang Cun-Xin.A New Method to Select the Near-native Conformations from the Docked Structures[J]. Acta Phys. -Chim. Sin., 2003,19(08): 757-761
59． Wang Zhe-Ming;Yan Zi-Feng.Skeletal Isomerization of Butene on Si, Zr-substituted Aluminum Phosphate Zeolites[J]. Acta Phys. -Chim. Sin., 2003,19(03): 216-220
60． Yu Hai-Tao;Chi Yu-Juan;Fu Hong-Gang;Li Ze-Sheng;Sun Jia-Zhong.The Stability of Phosphaalkynes R-C≡P (R=－BH2, －CH3,－NH2, －OH) and Their Isomers[J]. Acta Phys. -Chim. Sin., 2003,19(02): 125-129
61． Pei Ke-Mei;Li Yi-Min;Kan Rui-Feng;Luo Xiao-Lin;Li Hai-Yang.Structure and Photo Electron Spectroscopy of HONO2 and HOONO[J]. Acta Phys. -Chim. Sin., 2003,19(01): 55-59
62． Dai Li-Zong;Xu Yi-Ting;Jean-Yves Gal;Wu Hui-Huang.Studies on the Structure of the Aggregated State of Ringsubstituted Polyaniline[J]. Acta Phys. -Chim. Sin., 2002,18(03): 237-242
63． He Ming-Feng;Kang Zhe-Wen;Feng Tao;Han Xiao-Jun.Optimum Configuration of Bicatalysts for A-B2 Reactions[J]. Acta Phys. -Chim. Sin., 2002,18(02): 137-141
64． Yu Hai-Tao;Chi Yu-Juan;Fu Hong-Gang;Huang Xu-Ri;Sun Jia-Zhong.The Structures and Relative Stabilities of HBO2 Isomers[J]. Acta Phys. -Chim. Sin., 2002,18(01): 87-90
65． Jiang Hua;Xu Hui-Jun.Using Energy Transfer to Probe Solvent Dependent Conformational Changes in a D-A Podand[J]. Acta Phys. -Chim. Sin., 2001,17(12): 1092-1096
66． Wang Jian-Ji;Li Ru-Xiong;Zhang Yu-Xi.Enumeration of Staggered Conformations of Polyhaloalkanes[J]. Acta Phys. -Chim. Sin., 2001,17(05): 465-470
67． Zhang Wen-Qin, Zhang Zhi-Ming, Zheng Yan, Wang Shu-Li, Zhao Shu-Na.Crystal Structure and Photochemical Properties of r-1,c-2,t-3,t-4-1,3-bis(4-biphenyl)-2,4-di(4-pyridyl)cyclobutane[J]. Acta Phys. -Chim. Sin., 2000,16(03): 207-213
68． Ji Ming-Juan, Ye Xue-Qi, Yang Peng-Cheng.Molecular Dynamics Simulations for Met-enkephalin[J]. Acta Phys. -Chim. Sin., 1999,15(11): 1011-1016
69． Zhang Yan-Ling, Gao Xing-Ming, Tong Lin-Hui, Ma Xue-Yi.Circular Dichroism and Molecular Conformation of Cyclodextrins Bearing Benzoyl Moiety[J]. Acta Phys. -Chim. Sin., 1999,15(09): 856-859
70． 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
71． Hu Hai-Quan.Mechanism of the Isomerization of Nitryl Hydride[J]. Acta Phys. -Chim. Sin., 1998,14(06): 544-547
72． Hu Hai-Quan, Liu Cheng-Bu.Mechanism of the Isomerization of Difluorosilacyclopropene[J]. Acta Phys. -Chim. Sin., 1998,14(04): 349-352
73． Gong Xue-Dong, Xiao He-Ming.Theoreticl Studies on the Pyrolysis of Polynitric Esters[J]. Acta Phys. -Chim. Sin., 1998,14(01): 33-38
74． Xu Wen-Yuan,Hong San-Guo,Peng Yi-Yuan,Li Yong-Hong,Wang Sheng.Quantum Chemical Study on the Tautomeric Reaction of p -R-phenyltetrazoles[J]. Acta Phys. -Chim. Sin., 1997,13(12): 1115-1118
75． Yan Jiang-Li,Mao Xi-An,Shen Lian-Fang.Enthalpy for the Conformational Exchange of the Complex of Ferroceno-seleno-platinum Studied with 1H NMR[J]. Acta Phys. -Chim. Sin., 1997,13(09): 853-856
76． Ke Jie,Lu Jie,Zhong Ming-Hong,Zou Lei,Han Bu-Xing,Yan Hai-Ke.Effect of Ethanol on the Tautomerism of Ethyl Acetoacetate in Supercritical CO2[J]. Acta Phys. -Chim. Sin., 1997,13(04): 351-353
77． Dai Guo-Liang,Li Jun-Ru,Jiang Long.The Effect of LB Technology on Conformation of Glucose Oxidase[J]. Acta Phys. -Chim. Sin., 1997,13(03): 200-203
78． Li Ze-Min,Wu Shi-Kang.A Study on the Molecular Conformation of Styryl Pyrazine Compounds[J]. Acta Phys. -Chim. Sin., 1997,13(01): 5-10
79． Guo Jian-Xin,Zhang qi-Yuan.Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds[J]. Acta Phys. -Chim. Sin., 1996,12(09): 780-785
80． Wang Yi-Bo,Shi Hong-Yun.Ab Initio Study on the Conformation and Molecular Electrostatic Potentials of the Acetylcholine[J]. Acta Phys. -Chim. Sin., 1996,12(06): 518-522
81． Li Ze-Min,Wu Shi-Kang.Study on Photophysical Behaviors of Styryl Pyrazine Derivatives[J]. Acta Phys. -Chim. Sin., 1996,12(05): 418-422
82． Wang Xue-Song,Zhang Bao-Wen,Cao Yi.A Mechanism Study of Sensitized Photoisomerization of Norbornadiene Derivatives[J]. Acta Phys. -Chim. Sin., 1996,12(05): 423-428
83． 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
84． Jiang Yun,Miao Zhen-Wei,Xu Xiao-Jie,Tang You-Qi.Study on the Conformation of Three Cyclic Peptides and Their Correspondent Linear Peptides with CD Spectroscopy[J]. Acta Phys. -Chim. Sin., 1996,12(01): 91-95
85． Yang Jie, Tang Zuo-Hua, Wu De-Yin, LI Ze-Rong, Tian An-Min, Yan Guo-Sen.Conformer Study on 18-Crown-6[J]. Acta Phys. -Chim. Sin., 1995,11(11): 1008-1013
86． Xu Zong-Rong,Tian Zhi-Yue.The Quantum Theory of Reactive Rate for Isomerization Photochemical Reaction[J]. Acta Phys. -Chim. Sin., 1995,11(08): 762-765
87． Wang Jun-Mei,Hu Zhao-Lin,Ye Xue-Qi.Conformational Analysis of Leu-enkephalin by Molecular Dyanmics Method[J]. Acta Phys. -Chim. Sin., 1995,11(08): 673-677
88． Li Yong,Zheng Yan-Zhao,Guo Jin-Liang,Song Xin-Qi.CNDO/2 Studies on the Mechanism of Conformational Interconversion of Calix[4]arene[J]. Acta Phys. -Chim. Sin., 1995,11(07): 627-631
89． 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
90． Lai Lu-Hua, Wang Le-Yu, Deng Qiao-Lin, Han Yu-Zhen, Ma Li-Bin, Xu Xiao-Jie, Tang You-Qi.Constraint Monte-Carlo Simulated Annealing:Application in Peptide Conformational Analysis in Solution[J]. Acta Phys. -Chim. Sin., 1994,10(10): 867-869
91． Gao Zi, Hua Wei-Ming, Chen Jian-Min, Tang Yi.Characterization of Solid Superacidity by Pentane Isomerization Reaction[J]. Acta Phys. -Chim. Sin., 1994,10(10): 897-902
92． Gao Zi, Chen Jian-Min, Tang Yi, Hua Wei-Ming.Characterization of Solid Superacidity by Butane Isomerization Reaction at Ambient Temperature[J]. Acta Phys. -Chim. Sin., 1994,10(08): 698-703
93． Yan Zheng-Lin, Wu Shi-Kang.The Photophysical Behavior of 2-Pyrazoline with Azastilbene[J]. Acta Phys. -Chim. Sin., 1994,10(07): 610-615
94． Tang Yi, Lu Lu, Gao Zi.Studies on the Control of the Pore-opening Size of HM Zeolite and its Para-selectivity[J]. Acta Phys. -Chim. Sin., 1994,10(06): 514-520
95． Deng Qiao-Lin, Lai Lu-Hua, Han Yu-Zhen, Miao Zhen-Wei, Ji Ai-Xue, Xu Xiao-Jie.Application of Simulated Annealing: Study on Relationship between Conformation of Linear Peptides and Their Cyclization Yields[J]. Acta Phys. -Chim. Sin., 1994,10(05): 444-448
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100． Sun Xiang-Yu; Zhao Yao-Xing; Liang Xiao-Tian.Solvent Effect on Conformations of α,ω-Bis(4-Nitrophenoxy)-Alkanes[J]. Acta Phys. -Chim. Sin., 1992,8(05): 659-663
101． Ma Si-Yu; Feng Wen-Lin.Theoretical Study on the Tautomeric Reaction of Acetaldehyde Into Vinyl Alcohol and Ketene Into Ethynol[J]. Acta Phys. -Chim. Sin., 1992,8(05): 654-658
102． Zhuo Ji-Cang; Hu Jia-Ping; Wang Kui.Conformation of Bile Salt-Bilirubin-Ca2+ Ternary Complexes[J]. Acta Phys. -Chim. Sin., 1992,8(03): 389-393
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