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CORC

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Additivity of cation-pi interactions: An ab initio computational study on pi-cation-pi sandwich complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 卷号: 108, 期号: 43, 页码: 9400-9405
作者:  Liu, T;  Zhu, WL;  Gu, JD;  Shen, JH;  Luo, XM
收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08
The multiplicity, strength, and nature of the interaction of nucleobases with alkaline and alkaline earth metal cations: A density functional theory investigation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 卷号: 108, 期号: 18, 页码: 4008-4018
作者:  Zhu, WL;  Luo, XM;  Puah, CM;  Tan, XJ;  Shen, JH
收藏  |  浏览/下载：12/0  |  提交时间：2019/01/08
Molecular docking and 3-D-QSAR studies on the possible antimalarial mechanism of artemisinin analogues 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2002, 卷号: 10, 期号: 9, 页码: 2883-2891
作者:  Cheng, F;  Shen, JH;  Luo, XM;  Zhu, WL;  Gu, JD
收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08
Quantum chemistry study on the interaction of the exogenous ligands and the catalytic zinc ion in matrix metalloproteinases 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 卷号: 106, 期号: 17, 页码: 4552-4559
作者:  Cheng, F;  Zhang, RH;  Luo, XM;  Shen, JH;  Li, X
收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08
The relationship between binding models of TMA with furan and imidazole and the molecular electrostatic potentials: DFT and MP2 computational studies 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 卷号: 106, 期号: 1, 页码: 157-164
作者:  Liu, T;  Gu, JD;  Tan, XJ;  Zhu, WL;  Luo, XM
收藏  |  浏览/下载：13/0  |  提交时间：2019/01/08
Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum chemistry study using MP2 and density-functional theory methods 期刊论文
CHEMICAL PHYSICS LETTERS, 2001, 卷号: 349, 期号: 1-2, 页码: 113-122
作者:  Tan, XJ;  Zhu, WL;  Cui, M;  Luo, XM;  Gu, JD
收藏  |  浏览/下载：6/0  |  提交时间：2019/01/08
3D-QSAR model of flavonoids binding at benzodiazepine site in GABA(A) receptors 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2001, 卷号: 44, 期号: 12, 页码: 1883-1891
作者:  Huang, XQ;  Liu, T;  Gu, JD;  Luo, XM;  Ji, RY
收藏  |  浏览/下载：10/0  |  提交时间：2019/01/08
Theoretical insight into the interactions of TMA-benzene and TMA-pyrrole with B3LYP density-functional theory (DFT) and ab initio second order Moller-Plesset perturbation theory (MP2) calculations 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 卷号: 105, 期号: 22, 页码: 5431-5437
作者:  Liu, T;  Gu, JD;  Tan, XJ;  Zhu, WL;  Luo, XM
收藏  |  浏览/下载：9/0  |  提交时间：2019/01/08
How does ammonium interact with aromatic groups? A density functional theory (DFT/B3LYP) investigation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 卷号: 104, 期号: 42, 页码: 9573-9580
作者:  Zhu, WL;  Tan, XJ;  Puah, CM;  Gu, JD;  Jiang, HL
收藏  |  浏览/下载：9/0  |  提交时间：2019/01/08

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