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CORC

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Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 10
作者:  Liu, Xinzijian;  Liu, Jian
收藏  |  浏览/下载：16/0  |  提交时间：2019/04/09
Electronic Properties and Dissociative Photoionization of Thiocyanates, Part III. The Effect of the Group's Electronegativity in the Valence and Shallow-Core (Sulfur and Chlorine 2p) Regions of CCl3SCN and CCl2FSCN 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 48, 页码: 9201-9210
作者:  Rodriguez Pirani, Lucas S.;  Della Vedova, Carlos O.;  Gerones, Mariana;  Romano, Rosana M.;  Cavasso-Filho, Reinaldo
收藏  |  浏览/下载：16/0  |  提交时间：2019/04/09
Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 683, 页码: 507-514
作者:  Li, Wenqiang;  Zhu, Lili;  Shi, Qiang;  Ren, Jiajun;  Peng, Qian
收藏  |  浏览/下载：26/0  |  提交时间：2018/04/19
Beyond Kohn Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 卷号: 7, 期号: 24, 页码: 5143-5149
作者:  Gao, Jiali;  Grofe, Adam;  Ren, Haisheng;  Bao, Peng
收藏  |  浏览/下载：15/0  |  提交时间：2018/01/10
Insight into Strain Effects on Band Alignment Shifts, Carrier Localization and Recombination Kinetics in CdTe/CdS Core/Shell Quantum Dots 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015, 卷号: 137, 期号: 5, 页码: 2073-2084
作者:  Jing, Lihong;  Kershaw, Stephen V.;  Kipp, Tobias;  Kalytchuk, Sergii;  Ding, Ke
收藏  |  浏览/下载：15/0  |  提交时间：2019/04/09
Aggregation Effects on the Optical Emission of 1,1,2,3,4,5-Hexaphenylsilole (HPS): A QM/MM Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 卷号: 118, 期号: 39, 页码: 9094-9104
作者:  Zhang, Tian;  Jiang, Yuqian;  Niu, Yingli;  Wang, Dong;  Peng, Qian
收藏  |  浏览/下载：17/0  |  提交时间：2019/04/09
Conformation of polyelectrolytes in poor solvents: Variational approach and quantitative comparison with scaling predictions 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 19
作者:  Tang, Haozhe;  Liao, Qi;  Zhang, Pingwen
收藏  |  浏览/下载：11/0  |  提交时间：2019/04/09
Tunable Electronic Properties of Two-Dimensional Transition Metal Dichalcogenide Alloys: A First-Principles Prediction 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2014, 卷号: 5, 期号: 2, 页码: 285-291
作者:  Xi, Jinyang;  Zhao, Tianqi;  Wang, Dong;  Shuai, Zhigang
收藏  |  浏览/下载：11/0  |  提交时间：2019/04/09
A new method to account for the difference between classical and quantum baths in quantum dissipative dynamics 期刊论文
NEW JOURNAL OF PHYSICS, 2013, 卷号: 15
作者:  Zhu, Lili;  Liu, Hao;  Shi, Qiang
收藏  |  浏览/下载：10/0  |  提交时间：2019/04/09
Theoretical design of polythienylenevinylene derivatives for improvements of light-emitting and photovoltaic performances 期刊论文
JOURNAL OF MATERIALS CHEMISTRY, 2012, 卷号: 22, 期号: 10, 页码: 4491-4501
作者:  Jiang, Yuqian;  Peng, Qian;  Gao, Xing;  Shuai, Zhigang;  Niu, Yingli
收藏  |  浏览/下载：7/0  |  提交时间：2019/04/09

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