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CORC

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A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:  Yang, Dapeng;  Song, Xiaoyan;  Zhang, Tianjie;  Gao, Haiyan
收藏  |  浏览/下载：55/0  |  提交时间：2019/12/02
Theoretical Study of Infrared Spectra for the Ar–NO complex: Fundamental and Combination bands 期刊论文
Journal of Molecular Spectroscopy, 2019
作者:  Lipeng Shi;  Aiqing Zhao;  Hongli Wang;  Yanshan Tian;  Rui Zheng
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/17
Theoretical study of infrared spectra for the Ar–NO complex: Fundamental and combination bands 期刊论文
Journal of Molecular Spectroscopy, 2019, 卷号: Vol.357, 页码: 24-31
作者:  Lipeng Shi;  Aiqing Zhao;  Hongli Wang;  Yanshan Tian;  Rui Zheng
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/17
Theoretical studies for the infrared spectra of Ar-CO2 complex: Fundamental and combination bands 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: 204, 页码: 308-316
作者:  Zhao, Aiqing;  Shi, Lipeng;  Tian, Yanshan;  Zheng, Limin;  Zheng, Rui
收藏  |  浏览/下载：25/0  |  提交时间：2018/11/05
Elaborating a new excited state intramolecular proton transfer (ESPT) mechanism for a new pi-conjugated dye 2,2'-((5-(2-(4-methoxyphenyl) ethenyl)-benzene-1,1-diyl)-bis-(nitrilomethylylidene)-diphenol) 期刊论文
CANADIAN JOURNAL OF CHEMISTRY, 2018, 卷号: 96, 期号: 3, 页码: 351-357
作者:  Yang, Dapeng;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli
收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20
Insight into the new excited-state intramolecular proton transfer (ESIPT) mechanism of N,N '-bis(salicylidene)-p-phenylenediamine (p-BSP) 期刊论文
CHEMICAL PHYSICS, 2018, 卷号: 501, 页码: 53-59
作者:  Hao, Jiaojiao;  Yang, Yang
收藏  |  浏览/下载：14/0  |  提交时间：2019/06/20
Theoretical investigation of excited-state single and double proton transfer mechanisms for 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol 期刊论文
DYES AND PIGMENTS, 2017, 卷号: 141, 页码: 441-447
作者:  Huang, Jin-Dou;  Yu, Kun;  Ma, Huipeng;  Chai, Shuo;  Dong, Bin
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/02
Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017
Suo, Bingbing; Shen, Kaiyuan; Li, Zhendong; Liu, Wenjian
收藏  |  浏览/下载：7/0  |  提交时间：2017/12/03
Excited state proton transfer coupled with twisted intermolecular charge transfer for N,N-dimethylanilino-1,3-diketone in high polar acetonitrile solvent 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2016, 卷号: 220, 页码: 735-741
作者:  Zhao, Jinfeng;  Yang, Yang
收藏  |  浏览/下载：22/0  |  提交时间：2019/06/20
Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016
Liu, Lihong; Liu, Jian; Martinez, Todd J.
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03

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