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科研机构

大连化学物理研究所 [32]

兰州理工大学 [4]

上海药物研究所 [4]

化学研究所 [3]

近代物理研究所 [3]

南海海洋研究所 [2]

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期刊论文 [55]

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2018 [55]

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发表日期：2018

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	Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 23, 页码: 11 作者: Zhou, Panwang 收藏 \| 浏览/下载：24/0 \| 提交时间：2019/06/20 ADC(2) cyanine dyes rhodamine dyes TDDFT XMCQDPT2
	Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory 期刊论文 International journal of quantum chemistry, 2018, 卷号: 118, 期号: 23, 页码: 11 作者: Zhou, Panwang 收藏 \| 浏览/下载：40/0 \| 提交时间：2019/05/08 Adc(2) Cyanine dyes Rhodamine dyes Tddft Xmcqdpt2
	The electronic structures and excitation properties of three mesopentafluorophenyl substituted zinc porphyrin-fullerene dyad 期刊论文 JOURNAL OF MOLECULAR STRUCTURE, 2018, 卷号: 1173, 页码: 398-405 作者: Lu, Xiao-Juan; Zhang, Cai-Rong; Shen, Yu-Lin; Wu, You-Zhi; Liu, Zi-Jiang 收藏 \| 浏览/下载：9/0 \| 提交时间：2019/11/15 Porphyrin fullerene dyad Electronic structures Excited states Density functional theory Time dependent density functional theory
	The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad 期刊论文 Journal of Molecular Structure, 2018, 卷号: 1173, 页码: 398-405 作者: Lu, Xiao-Juan; Zhang, Cai-Rong; Shen, Yu-Lin; Wu, You-Zhi; Liu, Zi-Jiang 收藏 \| 浏览/下载：0/0 \| 提交时间：2020/11/14 Charge transfer Electronic structure Excited states Fullerenes Geometry Molecular orbitals Optoelectronic devices Porphyrins Structural properties Zinc Highest occupied molecular orbital Lowest unoccupied molecular orbital Optoelectronic properties Partial delocalization Porphyrin fullerenes Synergistic enhancement Time dependent density functional theory Transient intermediate
	Glutathione sensing mechanism of a fluorescent probe: Excited state intramolecular proton transfer and photoinduced electron transfer 期刊论文 JOURNAL OF LUMINESCENCE, 2018, 卷号: 204, 页码: 642-648 作者: Chu, Tian-Shu; Li, Yang; Zhao, Jin-Feng 收藏 \| 浏览/下载：145/0 \| 提交时间：2019/06/20 Fluorescent probe Density functional theory Excited state intramolecular proton transfer Photoinduced electron transfer Intramolecular charge transfer
	A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid 期刊论文 JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 282-289 作者: Yang, Yanqiang; Ma, Yinhua; Zhao, Jinfeng; Liu, Jianyong; Chu, Tianshu 收藏 \| 浏览/下载：120/0 \| 提交时间：2019/06/20 Binding model Time-dependent density functional theory Weak interactions TNP sensing Photoinduced electron transfer Binding energy
	Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole 期刊论文 STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773 作者: Zhang, Qiaoli; Zhao, Jinfeng; Yang, Guang; Jia, Min; Song, Xiaoyan 收藏 \| 浏览/下载：151/0 \| 提交时间：2019/06/20 Intramolecular hydrogen bond Frontier molecular orbital Charge density difference Excited state proton transfer Transition state
	Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds 期刊论文 STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823 作者: Wang, Yusheng; Yang, Guang; Zhang, Qiaoli; Song, Xiaoyan; Yang, Dapeng 收藏 \| 浏览/下载：23/0 \| 提交时间：2019/06/20 Hydrogen bond Charge density difference ESIPT Potential energy curves
	Solvation effect on the ESIPT mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1H-imidazo- [4,5-c]pyridine 期刊论文 JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 261-269 作者: Wang, Yi; Tang, Zhe; Lu, Meiheng; Liu, Kangjing; Zhao, Yanliang 收藏 \| 浏览/下载：65/0 \| 提交时间：2019/06/20 ESIPT Molecular electrostatic potential surface Frontier molecular orbitals Potential-energy curves
	Theoretical explorations about the excited state behaviors for two novel high efficient esipt compounds 期刊论文 Structural chemistry, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823 作者: Wang, Yusheng; Yang, Guang; Zhang, Qiaoli; Song, Xiaoyan; Yang, Dapeng 收藏 \| 浏览/下载：29/0 \| 提交时间：2019/05/08 Hydrogen bond Charge density difference Esipt Potential energy curves

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