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CORC

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The effects of the heteroatom and position on excited-state intramolecular proton transfer of new hydroxyphenyl benzoxazole derivatives: a time-dependent density functional theory study 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 11, 页码: 1807-1815
作者:  Li, Changming;  Guo, Wei;  Zhou, Panwang;  Tang, Zhe
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11
Theoretical study of charge-transport and optical properties of organic crystals: 4,5,9,10-pyrenediimides 期刊论文
IUCRJ, 2019, 卷号: 6, 页码: 603-609
作者:  Huang, Jin-Dou;  Yu, Kun;  Huang, Xiaohua;  Chen, Dengyi;  Wen, Jing
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/11
Tuning the electronic and optical properties of NDT-based conjugated polymers by adopting fused heterocycles as acceptor units: a theoretical study 期刊论文
JOURNAL OF MOLECULAR MODELING, 2017, 卷号: 23, 期号: 8
作者:  Cheng, Na;  Zhang, Changqiao;  Liu, Yongjun
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/12
Theoretical study of the ground and excited state properties of newly designed size-expanded adenine analogue x-adenine 期刊论文
ACTA PHYSICA SINICA, 2013, 卷号: 62, 期号: 10
作者:  Zhang Lai-Bin;  Ren Ting-Qi
收藏  |  浏览/下载：1/0  |  提交时间：2019/12/23
The mechanisms of ROS-photogeneration by berberine, a natural isoquinoline alkaloid 期刊论文
Journal of Photochemistry and Photobiology, B. Biology: Official Journal of the European Society for Photobiology, 2010, 卷号: 99, 期号: 3, 页码: 154-156
作者:  Liang Shen;  Hong-Fang Ji
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/26
Nature of the near-IR band in the electronic absorption spectra of neutral bis(tetrapyrrole) rare earth(III) complexes: Time-dependent density functional theory calculations 期刊论文
International Journal of Quantum Chemistry, 2010, 卷号: 110, 期号: 8, 页码: 1559-1564
作者:  Zhang, Y.;  Qi, D.;  Cai, X.;  Jiang, J.
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/26
Circular Dichroism of Chiral 1,8,15,22-Tetra(alkoxyl)phthalocyaninato Lead and Yttrium Complexes: Time-Dependent Density Functional Theory Calculations 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 卷号: 113, 期号: 44, 页码: 12179-12186
作者:  Zhang, Yuexing;  Jiang, Jianzhuang
收藏  |  浏览/下载：1/0  |  提交时间：2019/12/26
Theoretical exploration of the photosensitive properties of xanthurenic acid, a tryptophan metabolite in cataractous human lenses 期刊论文
DYES AND PIGMENTS, 2008, 卷号: 76, 期号: 3, 页码: 646-649
作者:  Shen, Liang;  Ji, Hong-Fang
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/26
Photophysical and photochemical properties of anthraquinones: A DFT study 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2008, 卷号: 851, 期号: 1-3, 页码: 220-224
作者:  Shen, Liang;  Ji, Hong-Fang;  Zhang, Hong-Yu
收藏  |  浏览/下载：1/0  |  提交时间：2019/12/26
Time-dependent density functional theory studies of the electronic absorption spectra of metallophthalocyanines of group IVA 期刊论文
International Journal of Quantum Chemistry, 2007, 卷号: 107, 期号: 4, 页码: 952-961
作者:  Zhang YX;  Cai X;  Zhang XX;  Xu H;  Liu ZQ
收藏  |  浏览/下载：7/0  |  提交时间：2020/01/03

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