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浏览/检索结果: 共75条，第1-10条 帮助 限定条件 发表日期：2017    专题：大连化学物理研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Recent advances in quantum scattering calculations on polyatomic bimolecular reactions 期刊论文 CHEMICAL SOCIETY REVIEWS, 2017, 卷号: 46, 期号: 24, 页码: 7625-7649 作者:  Shan, Xiao;  Clary, David C.;  Fu, Bina;  Zhang, Dong H. 收藏  |  浏览/下载：18/0  |  提交时间：2019/06/20 A DFT/TDDFT Investigation of Excited State Dynamical Mechanism of (E)-1-((2,2-Diphenylhydrazono)methyl)naphthalen-2-ol 期刊论文 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2017, 卷号: 64, 期号: 12, 页码: 1385-1391 作者:  Yang, Dapeng;  Wu, Jingyuan;  Jia, Min;  Song, Xiaoyan 收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20 Electronic Spectra  Frontier Molecular Orbitals  Excited-state Intramolecular Proton Transfer  Potential Energy Surface   Theoretical investigation on ESIPT mechanism for a novel Sal-3,4-benzophen system 期刊论文 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2017, 卷号: 16, 期号: 8 作者:  Lv, Jian;  Yang, Dapeng 收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20 Hydrogen Bond  Esipt  Electronic Spectra  Potential Energy Curve   An analogy study on ESIPT reaction for 3BHC sensor between polar DMF and nonpolar toluene 期刊论文 CANADIAN JOURNAL OF CHEMISTRY, 2017, 卷号: 95, 期号: 12, 页码: 1303-1307 作者:  Song, Xiaoyan;  Yang, Dapeng;  Jia, Min;  Wu, Jingyuan;  Zhang, Qiaoli 收藏  |  浏览/下载：17/0  |  提交时间：2017/12/19 hydrogen bond  ESIPT  potential energy curves   An analogy study on ESIPT reaction for 3BHC sensor between polar DMF and nonpolar toluene 期刊论文 CANADIAN JOURNAL OF CHEMISTRY, 2017, 卷号: 95, 期号: 12, 页码: 1303-1307 作者:  Wu, Jingyuan;  Zhang, Qiaoli;  Song, Xiaoyan;  Jia, Min;  Yang, Dapeng 收藏  |  浏览/下载：14/0  |  提交时间：2017/12/19 hydrogen bond  ESIPT  potential energy curves   Nonconventional Hydrogen Bonds between Silver Anion and Nucleobases: Size-Selected Anion Photoelectron Spectroscopy and Density Functional Calculations 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 46, 页码: 8973-8981 作者:  Wang, Peng;  Xu, Hong-Guang;  Cao, Guo-Jin;  Zhang, Wen-Jing;  Xu, Xi-Ling 收藏  |  浏览/下载：11/0  |  提交时间：2019/06/20 Theoretical Investigation of an Excited-State Intramolecular Proton-Transfer Mechanism for an Asymmetric Structure of 3,7-Dihydroxy-4-oxo-2-phenyl-4H-chromene-8-carbaldehyde: Single or Double? 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 46, 页码: 8807-8814 作者:  Yang, Yi;  Dong, Liang;  Tang, Zhe;  Wang, Yi;  Bao, Dongshuai 收藏  |  浏览/下载：22/0  |  提交时间：2019/06/20 On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58 作者:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang 收藏  |  浏览/下载：20/0  |  提交时间：2017/12/20 Nonadiabatic  Fluorescent proteins  Excited state  Dynamics simulation   On the mechanism of non-radiative decay of blue fluorescent protein chromophore: New insight from the excited-state molecular dynamics simulations and potential energy calculations 期刊论文 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 186, 页码: 52-58 作者:  Zhao, Li;  Liu, Jian-Yong;  Zhou, Pan-Wang 收藏  |  浏览/下载：21/0  |  提交时间：2017/12/20 Nonadiabatic  Fluorescent proteins  Excited state  Dynamics simulation   Concerted Mechanisms of Excited-State Proton Intramolecular Transfer for Bis-2,4-(2-benzoxazolyl)-hydroquinone and Its Derivatives 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 43, 页码: 8217-8226 作者:  Yang, Chuanlu;  Ma, Xiaoguang;  Bao, Dongshuai;  Wang, Meishan;  Yang, Yunfan 收藏  |  浏览/下载：13/0  |  提交时间：2017/12/19