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CORC

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Recent advances in quantum scattering calculations on polyatomic bimolecular reactions 期刊论文
CHEMICAL SOCIETY REVIEWS, 2017, 卷号: 46, 期号: 24, 页码: 7625-7649
作者:  Shan, Xiao;  Clary, David C.;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：15/0  |  提交时间：2019/06/20
Construction of diabatic energy surfaces for LiFH with artificial neural networks 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 22
作者:  Guan, Yafu;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：23/0  |  提交时间：2019/06/20
Ultrafast Excited-State Energy Transfer in DTDCTB Dimers Embedded in a Crystal Environment: Quantum Dynamics with the Multilayer Multiconfigurational Time-Dependent Hartree Method 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 49, 页码: 27263-27273
作者:  Jiang, Shengshi;  Zheng, Jie;  Yi, Yuanping;  Xie, Yu;  Yuan, Feng
收藏  |  浏览/下载：12/0  |  提交时间：2019/04/09
Crossed Molecular Beam Study of H-ECH4 and H+CD4 Reactions: Vibrationally Excited CH3/CD3 Product Channelst 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 609-613
作者:  Chen, Wen-tao;  Yu, Sheng-rui;  Yuan, Dao-fu;  Xie, Ting;  Yang, Jia-yue
收藏  |  浏览/下载：218/0  |  提交时间：2019/06/20
An Exact Propagator for Solving the Triatomic Reactive Schrodinger Equation 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 761-770
作者:  Li, Xue-ming;  Sun, Zhi-gang
收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20
Interfacial charge transfer in semiconductor-molecular photocatalyst systems for proton reduction 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS, 2017, 卷号: 33, 页码: 165-179
作者:  Wang, Xiuli;  Li, Can
收藏  |  浏览/下载：134/0  |  提交时间：2019/06/20
Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 800-810
作者:  Zheng, Jie;  Xie, Yu;  Jiang, Sheng-shi;  Long, Yun-ze;  Ning, Xin
收藏  |  浏览/下载：29/0  |  提交时间：2018/09/06
In silico approach to investigating the adsorption mechanisms of short chain perfluorinated sulfonic acids and perfluorooctane sulfonic acid on hydrated hematite surface 期刊论文
WATER RESEARCH, 2017, 卷号: 114, 期号: 0, 页码: 144-150
作者:  Gao, Ke;  Feng, Hongru;  Lin, Yuan;  Sun, Yuzhen;  Cao, Huiming
收藏  |  浏览/下载：41/0  |  提交时间：2018/07/26
Ultrafast Excited-State Energy Transfer in DTDCTB Dimers Embedded in a Crystal Environment: Quantum Dynamics with the Multilayer Multiconfigurational Time-Dependent Hartree Method 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 49, 页码: 27263-27273
作者:  Jiang, Shengshi;  Zheng, Jie;  Xie, Yu;  Lan Zhenggang;  Lan, Zhenggang
收藏  |  浏览/下载：30/0  |  提交时间：2018/01/05
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：13/0  |  提交时间：2017/12/19

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