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Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals 期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 6
作者:  Shang, Honghui;  Yang, Jinlong
收藏  |  浏览/下载：4/0  |  提交时间：2021/12/01
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
作者:  Xu, Xin;  Chen, Jun;  Su, Neil Qiang;  Zhang, Dong H.
收藏  |  浏览/下载：14/0  |  提交时间：2017/12/19
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334
作者:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H.
收藏  |  浏览/下载：12/0  |  提交时间：2017/12/19
Hydrogen generation mechanism of BH4- spontaneous hydrolysis: A sight from ab initio calculation 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 卷号: 41, 期号: 48, 页码: 22668-22676
作者:  Zhou, Yongquan;  Fang, Chunhui;  Fang, Yan;  Zhu, Fayan;  Liu, Hongyan
收藏  |  浏览/下载：28/0  |  提交时间：2018/06/20
Theoretical Study on Mechanism and Kinetics of Reaction of O(P-3) with Propane 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 4, 页码: 430-436
作者:  Jing, Fu-qiang;  Cao, Jian-wei;  Liu, Xiao-jun;  Hu, Yu-feng;  Ma, Hai-tao
收藏  |  浏览/下载：24/0  |  提交时间：2016/12/29
iCI: Iterative CI toward full CI 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016
Liu, Wenjian; Hoffmann, Mark R.
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Controllable synthesis of zirconia nano-powders using vapor-phase hydrolysis and theoretical analysis 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2014, 卷号: 2, 期号: 5, 页码: 1346
Wang, Q; Li, CH; Guo, M; Hu, CW; Xie, YC
收藏  |  浏览/下载：15/0  |  提交时间：2015/04/14
SDS: the 'static-dynamic-static' framework for strongly correlated electrons 期刊论文
theoretical chemistry accounts, 2014
Liu, Wenjian; Hoffmann, Mark R.
收藏  |  浏览/下载：5/0  |  提交时间：2015/11/10
Controllable synthesis of zirconia nano-powders using vapor-phase hydrolysis and theoretical analysis 期刊论文
journal of materials chemistry a, 2014
Wang, Qiang; Li, Chunhong; Guo, Ming; Hu, Changwen; Xie, Youchang
收藏  |  浏览/下载：5/0  |  提交时间：2015/11/11
Photoelectron velocity-map imaging spectroscopic and theoretical study on the reactivity of the gold atom toward CH3SH, CH3OH, and H2O 期刊论文
journal of chemical physics, 2013, 卷号: 139, 期号: 3, 页码: 034315
作者:  Qin, Zhengbo;  Cong, Ran;  Wu, Xia;  Liu, Zhiling;  Xie, Hua
收藏  |  浏览/下载：12/0  |  提交时间：2014/09/11

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