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CORC

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IR spectrum and normal mode analysis of the anti-Alzheimer's disease natural product Huperzine A: A quantum chemistry density-functional theory (DFT) investigation 期刊论文
SCIENCE IN CHINA SERIES B-CHEMISTRY, 1998, 卷号: 41, 期号: 6, 页码: 616-622
作者:  Zhu, WL;  Gu, JD;  Jiang, HL;  Chen, JZ;  Liu, DX
收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08
Electronic properties of solid (Al12B)Li in the CsCl structure 期刊论文
1998
Zhu, Z. Z.; Tian, B.; 朱梓忠
收藏  |  浏览/下载：7/0  |  提交时间：2013/12/12
Theoretical studies on cation-pi interactions (I) - Density-functional theory investigation on the configurations and interaction for ammonium cation-benzene complex 期刊论文
SCIENCE IN CHINA SERIES B-CHEMISTRY, 1998, 卷号: 41, 期号: 5, 页码: 535-542
作者:  Jiang, HL;  Zhu, WL;  Tan, XJ;  Gu, JD;  Chen, JZ
收藏  |  浏览/下载：10/0  |  提交时间：2019/01/08
A DFT study of the models of the bronsted acid sites of zeolite catalysts 期刊论文
STRUCTURAL CHEMISTRY, 1998, 卷号: 9, 期号: 5, 页码: 319-326
作者:  Gu, JD;  Gorb, L;  Leszczynski, J
收藏  |  浏览/下载：7/0  |  提交时间：2019/01/08
On bonding, structure, and stability of ternary hydrides A(2)MH(2) (A = Li, Na; M = Pd, Pt) 期刊论文
http://dx.doi.org/10.1002/(SICI)1521-3749(199809)624:9<1419::AID-ZAAC1419>3.0.CO;2-I, 1998
Liao, M. S.; Zhang, Q. E.; Schwarz, W. H. E.; 张乾二
收藏  |  浏览/下载：5/0  |  提交时间：2013/12/12
Band gap and heterojunction discontinuities of pseudomorphic Si1-x-yGexCy alloy layers on Si(001) 期刊论文
http://dx.doi.org/10.1063/1.368278, 1998
Wu, L. Q.; Huang, M. C.; Zhu, Z. Z.; Li, K. H.; 李开航
收藏  |  浏览/下载：2/0  |  提交时间：2013/12/12
SI  GE  SILICON  SI1-YCY  STRAIN  SYSTEM  
Density functional theory (DFT) and ab initio investigations of the electronic and molecular structures of the monomer and the dimer of trimethylaluminium 期刊论文
CHINESE JOURNAL OF CHEMISTRY, 1998, 卷号: 16, 期号: 3, 页码: 209-212
作者:  Hong, GY;  Cao, XY;  Wang, DX;  Li, LM;  Xu, GX
收藏  |  浏览/下载：8/0  |  提交时间：2019/04/09
Time-dependent density-functional theory with optimized effective potential and self-interaction correction: Application to the study of coherent control of multiple high-order harmonic generation of He atoms in mixed laser fields 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1998, 卷号: 69, 期号: 3, 页码: 293
Tong, XM; Chu, SI
收藏  |  浏览/下载：10/0  |  提交时间：2013/09/23
Time-dependent density-functional theory for strong-field multiphoton processes: Application to the study of the role of dynamical electron correlation in multiple high-order harmonic generation 期刊论文
PHYSICAL REVIEW A, 1998, 卷号: 57, 期号: 1, 页码: 452
Tong, XM; Chu, SI
收藏  |  浏览/下载：14/0  |  提交时间：2013/09/23
A density functional theory study on boundary of &quot;superreduced&quot; transition metal carbonyl anions [M(CO)(n)](Zeta-) (M=Cr, n=5, 4, 3, z=2, 4, 6, M=Mn, n=5, 4, 3, z=1, 3, 5, M=Fe, n=4, 3, 2, z=2, 4, 6, M=Co, n=4, 3, 2, z=1, 3, 5) 期刊论文
theochem journal of molecular structure, 1998
Chen, ZD; Deng, YQ; Bian, J; Li, LM; Xu, GX
收藏  |  浏览/下载：1/0  |  提交时间：2015/11/13

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