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Role of the Dark 2A(g) State in Donor-Acceptor Copolymers as a Pathway for Singlet Fission: A DMRG Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017, 卷号: 8, 期号: 10, 页码: 2175-2181
作者:  Ren, Jiajun;  Peng, Qian;  Zhang, Xu;  Yi, Yuanping;  Shuai, Zhigang
收藏  |  浏览/下载:18/0  |  提交时间:2018/01/24
Extensive theoretical study on electronically excited states of calcium monochloride: Molecular laser cooling and production of ultracold chlorine atoms 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 18
作者:  Fu, Mingkai;  Ma, Haitao;  Cao, Jianwei;  Bian, Wensheng
收藏  |  浏览/下载:13/0  |  提交时间:2017/01/18
Quantum-mechanical approach to predissociation of water dimers in the vibrational adiabatic representation: Importance of channel interactions 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 8
作者:  Mineo, H.;  Niu, Y. L.;  Kuo, J. L.;  Lin, S. H.;  Fujimura, Y.
收藏  |  浏览/下载:23/0  |  提交时间:2015/10/26
What Factors Control 02 Binding and Release Thermodynamics in Mononuclear Ruthenium Water Oxidation Catalysts? A Theoretical Exploration 期刊论文
INORGANIC CHEMISTRY, 2013, 卷号: 52, 期号: 9, 页码: 5088-5096
作者:  Zhang, Guiling;  Chen, Kejuan;  Chen, Hui;  Yao, Jiannian;  Shaik, Sason
收藏  |  浏览/下载:12/0  |  提交时间:2019/04/09
DFT and Experimental Exploration of the Mechanism of InCl3-Catalyzed Type II Cycloisomerization of 1,6-Enynes: Identifying InCl2+ as the Catalytic Species and Answering Why Nonconjugated Dienes Are Generated 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2012, 卷号: 77, 期号: 19, 页码: 8527-8540
作者:  Zhuo, Lian-Gang;  Zhang, Ji-Ji;  Yu, Zhi-Xiang
收藏  |  浏览/下载:13/0  |  提交时间:2019/04/09
Consecutive Reaction Mechanism for the Formation of Spore Photoproduct in DNA Photolesion 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 卷号: 116, 期号: 36, 页码: 11117-11123
作者:  Du, Qian;  Zhao, Hongmei;  Song, Di;  Liu, Kunhui;  Su, Hongmei
收藏  |  浏览/下载:9/0  |  提交时间:2019/04/09
From Molecules to Materials: Molecular and Crystal Engineering Design of Organic Optoelectronic Functional Materials for High Carrier Mobility 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 卷号: 116, 期号: 1, 页码: 1195-1199
作者:  Chang, Ying-fei;  Lu, Zhong-yuan;  An, Li-jia;  Zhang, Jing-ping
收藏  |  浏览/下载:11/0  |  提交时间:2019/04/09
THEORETICAL STUDY ON THE SELF-REACTION MECHANISM OF CH2ClO2 RADICALS 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2009, 卷号: 8, 期号: 1, 页码: 119-142
作者:  Wei, Wen-Mei;  Zheng, Ren-Hui;  Tian, Yan;  Gu, Zhi-Hong;  Xie, Yong-Yan
收藏  |  浏览/下载:10/0  |  提交时间:2019/04/09
Heterogeneity in structurally arrested hard spheres 期刊论文
EPL, 2008, 卷号: 84, 期号: 2
作者:  Li, Zi-Qi;  Sun, Zhao-Yan;  An, Li-Jia;  Wang, Zhen-Gang
收藏  |  浏览/下载:9/0  |  提交时间:2019/04/09
Theoretical assignments of the optical conductivity and energy-loss function spectra of EuB6 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2008, 卷号: 24, 期号: 1, 页码: 1-7
作者:  Jiang Jun;  Bian Jiang;  Li Le-Min
收藏  |  浏览/下载:6/0  |  提交时间:2019/04/09


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