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CORC

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Localization of Molecular Orbitals: From Fragments to Molecule 期刊论文
accounts of chemical research, 2014
Li, Zhendong; Li, Hongyang; Suo, Bingbing; Liu, Wenjian
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/16
Structures, Stabilities and Physicochemical Properties of Nucleobase Tautomers 期刊论文
acta physico-chimica sinica, 2013, 卷号: 29, 期号: 10, 页码: 2135-2147
作者:  Cao Guo-Jin;  Zheng Wei-Jun
收藏  |  浏览/下载：15/0  |  提交时间：2015/11/09
DFVB: A Density-Functional-Based Valence Bond Method 期刊论文
2012
Ying, Fuming; Su, Peifeng; 苏培峰; Chen, Zhenhua; Shaik, Sason; Wu, Wei; 吴玮
收藏  |  浏览/下载：3/0  |  提交时间：2013/04/07
Equation of motion coupled cluster method for electron attached states with spin-orbit coupling 期刊论文
chemical physics letters, 2012, 卷号: 531, 页码: 236-241
作者:  Yang, Dong-Dong;  Wang, Fan;  Guo, Jingwei
收藏  |  浏览/下载：11/0  |  提交时间：2015/11/13
密度泛函方法的测试与发展 学位论文
2012, 2012
苏乃强
收藏  |  浏览/下载：8/0  |  提交时间：2016/02/14
New Procedure to Evaluate Aromaticity at the Density Functional Theory, Hartree-Fock, and Post-Self-Consistent Field Levels 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 卷号: 32, 期号: 2, 页码: 248-259
作者:  Bao, Peng;  Yu, Zhong-Heng
收藏  |  浏览/下载：20/0  |  提交时间：2019/04/09
The influence of formamide (model of protein unit) on the intramolecular proton transfer in the DNA simple base guanine: A density functional theory study 期刊论文
International Journal of Quantum Chemistry, 2008, 卷号: 108, 期号: 9, 页码: 1589-1600
作者:  Zhang AG;  Zhang H;  Zhou ZY;  Jia ZK;  Hou RY
收藏  |  浏览/下载：1/0  |  提交时间：2019/12/26
Double proton transfer and one-electron oxidation behavior in double H-bonded glycinamide-glycine complex in the gas phase 期刊论文
Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological, 2005, 卷号: 26, 期号: 6, 页码: 552-560
作者:  Li P;  Bu YX
收藏  |  浏览/下载：2/0  |  提交时间：2020/01/03
Double proton transfer and one-electron oxidation behaviors in double H-bonded glycinamide-formamidine complex and comparison with biological base pair 期刊论文
journal of physical chemistry b, 2004, 卷号: 108, 期号: 43, 页码: 16976-16982
作者:  Li, P;  Bu, YX;  Ai, HQ;  Yan, SH;  Han, KL
收藏  |  浏览/下载：19/0  |  提交时间：2010/11/30
Double proton transfer behavior and one-electron oxidation effect in double H-bonded glycinamide-formic acid complex 期刊论文
The Journal of Chemical Physics, 2004, 卷号: 121, 期号: 20, 页码: 9971-9981
作者:  Li P;  Bu YX
收藏  |  浏览/下载：3/0  |  提交时间：2020/01/03

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