[1] |
Zhang Ying, Li Mingtao, Yang Bolun.
Reaction Mechanism of Hydrogen Generation from Hydrolysis of BH4-: Quantum Chemistry Computing
[J]. Acta Chimica Sinica, 2013, 71(05): 769-776.
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[2] |
YI Ping-Gui, ZHOU Ji-Ming, WANG Chao-Xu, YU Xian-Yong, LI Xiao-Fang, CHEN Jian, LIU Zheng-Jun.
Theoretical Study of Excited State Proton Transfer of 2-Phenyl- benzotriazole Derivatives with Different Proton Donor
[J]. Acta Chimica Sinica, 2011, 69(14): 1645-1653.
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[3] |
ZHOU Yong-Quan, FANG Yan, CAO Ling-Di, ZHU Fa-Yan, FANG Chun-Hui.
Amorphous Structure of Diboron Trioxide and Sodium Pentaborate Hydrate
[J]. Acta Chimica Sinica, 2011, 69(01): 46-52.
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[4] |
CHEN Tian-Na, TANG Ye-Peng, XIAO He-Ming.
A Theoretical Study on the Dimerization of α-Bicyclo-HMX
[J]. Acta Chimica Sinica, 2010, 68(19): 1986-1990.
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[5] |
YE Zhao-Lian, LI Ping, BI Cheng-Lu, HOU Hui-Qi.
Study on the Formation Rate Constant of C12H10O-OH Adduct by Adding Inner-standard Substance
[J]. Acta Chimica Sinica, 2010, 68(19): 2007-2012.
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[6] |
LIU Yue-Jie, ZHAO Zeng-Xia, SONG Ming-Xing, ZHANG Hong-Xing, SUN Jia-Zhong.
Theoretical Studies on the Low-Lying Excited States of Aluminum Cyanide (AlCN) and Its Ions
[J]. Acta Chimica Sinica, 2010, 68(17): 1687-1691.
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[7] |
WANG Jin, WANG Jun-Xia, ZENG Fan-Gui, WU Xiu-Ling.
Molecular Simulation of Interlayer Structure and Dynamics Properties in Lithium Montmorillonite Hydrates
[J]. Acta Chimica Sinica, 2010, 68(16): 1653-1660.
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[8] |
GENG Zhi-Yuan, WANG Yu-Zhi, WANG Yong-Cheng, LIANG Dun-Xi, CHENG Yu, SUN Xiao-Jian.
Theoretical Study on the Reaction Mechanism of n-Butene Anion with N2O in Gas Phase
[J]. Acta Chimica Sinica, 2010, 68(05): 391-402.
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[9] |
LIU Hong*,1; CHEN Yan-Qin ;WANG Yi-Bo2 .
Nature and Structural Property of Complexes of Silicane with Hydrogen Halides
[J]. Acta Chimica Sinica, 2008, 66(3): 301-307.
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[10] |
GENG Zhi-Yuan*; LIANG Jun-Xi; WANG Yong-Cheng; HAN Yan-Xia ;YAN Peng-Ji.
Theoretical Study Reaction of C4H5- with N2O in Gas Phase
[J]. Acta Chimica Sinica, 2008, 66(3): 325-334.
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[11] |
LIANG, Xue a,b WANG, Yi-Bo*,a,b.
Conventional H-bond (X—H…Y) vs. X—H…π Interaction? A Theoretical Investigation of the Nature of Borazine- Hydrogen Halide Interactions
[J]. Acta Chimica Sinica, 2008, 66(12): 1385-1390.
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[12] |
LIU Min1,2; SUN De-Zhi2; LIN Rui-Sen*,1; QU Xiu-Kui2; WANG Xu .
Enthalpic Interactions of Formamide with myo-Inositol in Aqueous Sodium Chloride Solutions
[J]. Acta Chimica Sinica, 2007, 65(4): 361-366.
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[13] |
HOU Chun-Yuan; ZHENG Qing-Chuan; SHU Xin; ZHANG Hong-Xing*.
Excited Spectroscopy and O2-loss Dissociations in Low-lying Electronic States of CH3O2 Studied Using Multiconfiguration Second-Order Perturbation Theory
[J]. Acta Chimica Sinica, 2007, 65(18): 1947-1950.
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[14] |
SONG Hua-Jie*,1,2; XIAO He-Ming; DONG Hai-Shan2.
Intermoleuclar Forces and Gas Geometries of TATB Dimers
[J]. Acta Chimica Sinica, 2007, 65(12): 1101-1109.
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[15] |
SHI Wen-Yan1,2; WANG Feng-Yun*,1; XIA Ming-Zhu; LEI Wu; ZHANG Shu-Guang.
Molecular Dynamics Simulation of Interaction between Carboxylate Copolymer and Calcite Crystal
[J]. Acta Chimica Sinica, 2006, 64(17): 1817-1823.
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