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CORC

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Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017
Suo, Bingbing; Shen, Kaiyuan; Li, Zhendong; Liu, Wenjian
收藏  |  浏览/下载：7/0  |  提交时间：2017/12/03
Carbanion Translocations via Intramolecular Proton Transfers: A Quantum Chemical Study 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2017
Wang, Yi; Cai, Pei-Jun; Yu, Zhi-Xiang
收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03
Sigmatropic proton shifts: a quantum chemical study 期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2017
Wang, Yi; Yu, Zhi-Xiang
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Density Functional Theory Study of the Reaction between d(0) Tungsten Alkylidyne Complexes and H2O: Addition versus Hydrolysis 期刊论文
INORGANIC CHEMISTRY, 2017
Chen, Ping; Zhang, Linxing; Xue, Zi-Ling; Wu, Yun-Dong; Zhang, Xinhao
收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03
Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder Reaction Products: Reaction Development and Mechanistic Studies 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2017
Yang, Kai; Dang, Qun; Cai, Pei-Jun; Gao, Yang; Yu, Zhi-Xiang; Bai, Xu
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Two-Coordinate Co(II) Imido Complexes as Outstanding Single Molecule Magnets 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017
Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Analysing and Correcting the Differences between Multi-Source and Multi-Scale Spatial Remote Sensing 其他
2014-01-01
Dong, Yingying; Luo, Ruisen; Feng, Haikuan; Wang, Jihua; Zhao, Jinling; Zhu, Yining; Yang, Guijun
收藏  |  浏览/下载：6/0  |  提交时间：2015/11/13
Magneto-Structural Correlations in a Family of (FeReIV)-Re-II(CN)(2) Single-Chain Magnets: Density Functional Theory and Ab Initio Calculations 期刊论文
inorganic chemistry, 2014
Zhang, Yi-Quan; Luo, Cheng-Lin; Wu, Xin-Bao; Wang, Bing-Wu; Gao, Song
收藏  |  浏览/下载：4/0  |  提交时间：2015/11/10
First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels 期刊论文
journal of chemical physics, 2014
Li, Zhendong; Suo, Bingbing; Liu, Wenjian
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11
Relativistic theory of nuclear spin-rotation tensor with kinetically balanced rotational London orbitals 期刊论文
journal of chemical physics, 2014
Xiao, Yunlong; Zhang, Yong; Liu, Wenjian
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11

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