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CORC

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Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling 期刊论文
journal of chemical physics, 2015, 卷号: 142, 期号: 14, 页码: 144109
作者:  Wang, Zhifan;  Hu, Shu;  Wang, Fan;  Guo, Jingwei
收藏  |  浏览/下载：20/0  |  提交时间：2015/11/16
First-Principles Study of Methanol Oxidation into Methyl Formate on Rutile TiO2(110) 期刊论文
journal of physical chemistry c, 2014, 卷号: 118, 期号: 34, 页码: 19859-19868
作者:  Lang, Xiufeng;  Wen, Bo;  Zhou, Chuanyao;  Ren, Zefeng;  Liu, Li-Min
收藏  |  浏览/下载：21/0  |  提交时间：2015/11/16
Coriolis coupling effect of state-to-state quantum dynamics for He + HeH+ 期刊论文
theoretical chemistry accounts, 2014, 卷号: 133, 期号: 10, 页码: 1552
作者:  Wu, Dan;  Guo, Mingxing;  Wang, Yun;  Yin, Shuhui;  Sun, Zhigang
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/16
Photophysical Properties of Self-Assembled Multinuclear Platinum Metallacycles with Different Conformational Geometries 期刊论文
journal of the american chemical society, 2013, 卷号: 135, 期号: 17, 页码: 6694-6702
作者:  Chen, Jun-Sheng;  Zhao, Guang-Jiu;  Cook, Timothy R.;  Han, Ke-Li;  Stang, Peter J.
收藏  |  浏览/下载：21/0  |  提交时间：2014/09/11
Molecular Conformations and Dynamics on Surfaces of Gold Nanoparticles Probed with Multiple-Mode Multiple-Dimensional Infrared Spectroscopy 期刊论文
journal of physical chemistry c, 2012, 卷号: 116, 期号: 14, 页码: 7913-7924
作者:  Bian, Hongtao;  Li, Jiebo;  Chen, Hailong;  Yuan, Kaijun;  Wen, Xiewen
收藏  |  浏览/下载：21/0  |  提交时间：2013/10/11
Density Functional Theory Study on Electron and Hole Transport Properties of Organic Pentacene Derivatives with Electron-Withdrawing Substituent 期刊论文
journal of computational chemistry, 2011, 卷号: 32, 期号: 15, 页码: 3218-3225
作者:  Chai, Shuo;  Wen, Shu-Hao;  Huang, Jin-Dou;  Han, Ke-Li
收藏  |  浏览/下载：26/0  |  提交时间：2012/07/09
Symmetry exploitation in closed-shell coupled-cluster theory with spin-orbit coupling 期刊论文
journal of chemical physics, 2011, 卷号: 135, 期号: 3, 页码: 034115
作者:  Tu, Zheyan;  Yang, Dong-Dong;  Wang, Fan;  Guo, Jingwei
收藏  |  浏览/下载：16/0  |  提交时间：2012/07/09
Theoretical studies of iridium-mediated tautomerization of substituted pyridines 期刊论文
journal of organometallic chemistry, 2011, 卷号: 696, 期号: 8, 页码: 1640-1646
作者:  Su, Yan;  Song, Guoyong;  Han, Keli;  Li, Xingwei
收藏  |  浏览/下载：25/0  |  提交时间：2012/07/09
Palladium catalyzed N-alkylation of amines with alcohols 期刊论文
Tetrahedron Letters, 2011, 卷号: 52, 页码: 1334-1338
作者:  Cui XJ(崔新江);  Qi XJ(亓秀娟);  Shi F(石峰);  Deng YQ(邓友全);  Shi F(石峰)
收藏  |  浏览/下载：10/0  |  提交时间：2012/12/04
Electronically quenching through conical intersections in the OH(A2Σ+) + H2 reaction 会议论文
International Symposium on Theoretical and Computational Chemistry–2010:High Performance Computing Simulations, 中国, 2010-12-05
韩克利
收藏  |  浏览/下载：13/0  |  提交时间：2011/07/11

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