| [1] |
Jing-Si CAO,Fei-Wu CHEN.
Fitting and Extrapolation of Configuration Interaction Energies in Complete Active Space
[J]. Acta Phys. -Chim. Sin., 2017, 33(6): 1130-1139.
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| [2] |
YAO Wen-Zhi, YAO Jian-Bin, LI Xin-Bao, LI Si-Dian.
B2Au20/-/2-: Multiple Boron-Boron Bonds in Diboron Aurides
[J]. Acta Phys. -Chim. Sin., 2013, 29(06): 1219-1224.
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| [3] |
CAI Kai-Cong, LIU Shan-Hong, LIU Di-Wen, LIN Shen.
Secondary Structure and Vibrational Spectral Feature of Alanine Dipeptide
[J]. Acta Phys. -Chim. Sin., 2012, 28(08): 1837-1842.
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| [4] |
MA Li-Juan, WANG Jian-Feng, JIA Jian-feng, WU Hai-Shun.
Hydrogen Storage Properties of B12Sc4 and B12Ti4 Clusters
[J]. Acta Phys. -Chim. Sin., 2012, 28(08): 1854-1860.
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| [5] |
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.
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| [6] |
ZHANG Ming-Bo, GONG Li-Dong.
Evolution of the Molecular Face during the Reaction Process of F-+CH3Cl→CH3F+Cl-
[J]. Acta Phys. -Chim. Sin., 2012, 28(05): 1120-1126.
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| [7] |
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.
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| [8] |
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.
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| [9] |
MIAO Yan-Lin, SUN Huai, WANG Lin, SUN Ying-Xin.
Predicting Hydrogen Storage Performances in Porous Aromatic Frameworks Containing Carboxylate Functional Groups with Divalent Metallic Cations
[J]. Acta Phys. -Chim. Sin., 2012, 28(03): 547-554.
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| [10] |
JIN Yi, WANG Yue, BIAN Fu-Yong, SHI Qiang, GE Mao-Fa, WANG Shu, ZHANG Xing-Kang, XU Si-Chuan.
Three-Dimensional Structure of Dopamine 3-Subtype Receptor with the Active Site Residues for the Binding of Dopamine
[J]. Acta Phys. -Chim. Sin., 2011, 27(10): 2432-2446.
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| [11] |
LIU Yan, WANG Fang-Fang, YU Chun-Yang, LIU Cui, Gong Li-Dong, YANG Zhong-Zhi.
Structures and Binding Energies of Sr2+/Ba2+-Water Systems by Ab initio and ABEEM/MM Method
[J]. Acta Phys. -Chim. Sin., 2011, 27(02): 379-387.
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| [12] |
WANG Hong-Jie, HU Fan, LI Shen-Min.
Mixed Quantum-Classical Dynamics Simulations on the Vibrational Spectral Probe in a SWCT Confined Solvent
[J]. Acta Phys. -Chim. Sin., 2010, 26(03): 714-720.
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| [13] |
ZHOU Ai-Song, ZHOU Li-Chuan, LI Shen-Min.
Mixed Quantum-Classical Dynamics Method Study of the Vibrational Frequency Shift of I2 in the Water Pool of Reverse Micelles
[J]. Acta Phys. -Chim. Sin., 2009, 25(08): 1572-1580.
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| [14] |
ARSLAN Hakan; DEMIRCAN Aydin.
Structure and Vibrational Spectra of Tert-butyl N-(2-bromocyclohex-2-enyl)-N-(2-furylmethyl)carbamate
[J]. Acta Phys. -Chim. Sin., 2007, 23(11): 1683-1690.
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| [15] |
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.
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