| [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] |
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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| [4] |
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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| [5] |
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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| [6] |
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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| [7] |
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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| [8] |
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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| [9] |
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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| [10] |
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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| [11] |
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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| [12] |
XUE Xin-Ying, SUN Jiu-Xun*, MO Wen-Juan.
Study on Osmotic Pressure of Aqueous Bovine Serum Albumin-NaCl Solutions Based on Analytical Ross Variational Perturbation Theory
[J]. Acta Chimica Sinica, 2005, 63(18): 1713-1719.
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| [13] |
Lu Xiuhui;Wu Weirong.
Theoretical Study on the Mechanism of the Cycloaddition Reaction between Alkylidene Carbene and Propylene
[J]. Acta Chimica Sinica, 2003, 61(11): 1707-1713.
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| [14] |
Lu Xiuhui;Zhai Limin;Wang Yixuan;Liu Chengbu.
Theoretical Study on the Mechanism of the Cycloaddition reaction between Alkylidenecarbene and Formaldehyde
[J]. Acta Chimica Sinica, 2002, 60(5): 769-774.
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| [15] |
Hu Haiquan;Chen Zhida;Liu ChengBu.
Effect of Electronegativity of Atoms in Terminal Ligands on Magnetic Coupling Interactions
[J]. Acta Chimica Sinica, 2002, 60(10): 1794-1797.
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