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CORC

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Modeling sigma-Bond Activations by Nickel(0) Beyond Common Approximations: How Accurately Can We Describe Closed-Shell Oxidative Addition Reactions Mediated by Low-Valent Late 3d Transition Metal? 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 10, 页码: 4841-4853
作者:  Hu, Lianrui;  Chen, Kejuan;  Chen, Hui
收藏  |  浏览/下载：19/0  |  提交时间：2018/07/03
Ionization spectroscopies and theoretical calculations of cis and trans 3-fluoro-N-methylaniline-Ar-n(n=1,2) van der Waals clusters: Structures and binding energies 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 183, 页码: 177-186
作者:  Zhang, Lijuan;  Li, Dazhi;  Cheng, Min;  Du, Yikui;  Zhu, Qihe
收藏  |  浏览/下载：21/0  |  提交时间：2018/04/10
Laser cooling of CaBr molecules and production of ultracold Br atoms: A theoretical study including spin-orbit coupling 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 13
作者:  Fu, Mingkai;  Ma, Haitao;  Cao, Jianwei;  Bian, Wensheng
收藏  |  浏览/下载：21/0  |  提交时间：2018/01/15
Ultrafast two-dimensional infrared spectroscopy for molecular structures and dynamics with expanding wavelength range and increasing sensitivities: from experimental and computational perspectives 期刊论文
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 2017, 卷号: 36, 期号: 3, 页码: 377-431
作者:  Wang, Jianping
收藏  |  浏览/下载：53/0  |  提交时间：2018/04/11
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：25/0  |  提交时间：2016/12/29
DFT Methods to Study the Reaction Mechanism of Iridium-Catalyzed Hydrogenation of Olefins: Which Functional Should be Chosen? 期刊论文
CHEMPHYSCHEM, 2016, 卷号: 17, 期号: 1, 页码: 119-127
作者:  Sun, Yihua;  Chen, Hui
收藏  |  浏览/下载：15/0  |  提交时间：2016/03/14
Laser cooling of copper monofluoride: a theoretical study including spin-orbit coupling 期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 102, 页码: 100568-100576
作者:  Fu, Mingkai;  Cao, Jianwei;  Ma, Haitao;  Bian, Wensheng
收藏  |  浏览/下载：16/0  |  提交时间：2016/12/29
Assessment of DFT Methods for Computing Activation Energies of Mo/W-Mediated Reactions 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 卷号: 11, 期号: 10, 页码: 4601-4614
作者:  Hu, Lianrui;  Chen, Hui
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/17
Systematic investigation on topological properties of layered GaS and GaSe under strain 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 8
作者:  An, Wei;  Wu, Feng;  Jiang, Hong;  Tian, Guang-Shan;  Li, Xin-Zheng
收藏  |  浏览/下载：13/0  |  提交时间：2019/04/09
Communication: Determining the structure of the N2Ar van der Waals complex with laser-based channel-selected Coulomb explosion 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 14
作者:  Wu, Chengyin;  Wu, Cong;  Song, Di;  Su, Hongmei;  Xie, Xiguo
收藏  |  浏览/下载：9/0  |  提交时间：2019/04/09

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