机构

• 大连化学物理研究所 [12]
• 化学研究所 [1]
• 生态环境研究中心 [1]

采集方式

• OAI收割 [12]
• iSwitch采集 [2]

内容类型

• 期刊论文 [14]

发表日期

• 2020 [1]
• 2019 [5]
• 2018 [4]
• 2017 [1]
• 2015 [1]
• 2012 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共14条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Interpreting main features of the differential absorbance spectra of chlorinated natural organic matter: Comparison of the experimental and theoretical spectra of model compounds 期刊论文  OAI收割 WATER RESEARCH, 2020, 卷号: 185, 页码: 1-12 作者:  Chen, Bingya;  Zhang, Chenyang;  Zhao, Yanmei;  Wang, Dongsheng;  Korshin, Gregory, V   |  收藏  |  浏览/下载：27/0  |  提交时间：2021/09/14 Chlorination  Differential absorbance spectra  Disinfection byproducts  Electronic transition  Natural organic matter  Frontier molecular orbital theory   Investigation on the excited state intramolecular proton transfer process for the novel 2-(3,5-dichloro-2-hydroxy-phenyl)-benzooxazole-5-carboxylicacid system 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 10, 页码: 9 作者:  Gao, Haiyan;  Yang, Xiaohui;  Zhang, Tianjie;  Yang, Dapeng   |  收藏  |  浏览/下载：91/0  |  提交时间：2019/12/02 charge density differences  charge redistribution  ESIPT  frontier molecular orbital  intramolecular hydrogen bond   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文  OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164 作者:  Song, Xiaoyan;  Zhang, Tianjie;  Zhang, Qiaoli;  Yang, Dapeng;  Yang, Guang   |  收藏  |  浏览/下载：62/0  |  提交时间：2019/06/20 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation 期刊论文  iSwitch采集 Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164 作者:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：77/0  |  提交时间：2019/05/08 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore 期刊论文  OAI收割 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 56-61 作者:  Yang, Dapeng;  Gao, Haiyan;  Yang, Guang;  Jia, Min;  Song, Xiaoyan   |  收藏  |  浏览/下载：56/0  |  提交时间：2019/06/20 frontier molecular orbital  infrared spectra  intramolecular hydrogen bond  potential energy curves  proton transfer   A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore 期刊论文  iSwitch采集 Journal of the chinese chemical society, 2019, 卷号: 66, 期号: 1, 页码: 56-61 作者:  Gao, Haiyan;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：51/0  |  提交时间：2019/05/08 Frontier molecular orbital  Infrared spectra  Intramolecular hydrogen bond  Potential energy curves  Proton transfer   Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole 期刊论文  OAI收割 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：158/0  |  提交时间：2019/06/20 Intramolecular hydrogen bond  Frontier molecular orbital  Charge density difference  Excited state proton transfer  Transition state   Theoretical insights into the ESIPT process for pi-conjugated benzimidazole compounds 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 11, 页码: 7 作者:  Wang, Yusheng;  Yang, Guang;  Yang, Dapeng   |  收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20 electronic spectra  frontier molecular orbital  potential energy curves  TDDFT   Exploring excited-state proton transfer mechanism for 9,10-dihydroxybenzo[h]quinolone 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 2 作者:  Yang, Dapeng;  Wu, Jingyuan;  Dong, Hao;  Jia, Min;  Song, Xiaoyan   |  收藏  |  浏览/下载：28/0  |  提交时间：2019/06/20 Frontier Molecular Orbital  Potential Energy Curves  Proton Transfer   A theoretical investigation on excited-state single or double proton transfer process for aloesaponarin I 期刊论文  OAI收割 CANADIAN JOURNAL OF CHEMISTRY, 2018, 卷号: 96, 期号: 1, 页码: 83-88 作者:  Wei, Qiang;  Wang, Jiyu;  Zhao, Meiyu;  Zhang, Meixia;  Song, Yuzhi   |  收藏  |  浏览/下载：74/0  |  提交时间：2019/06/20 Proton Transfer  Intramolecular Hydrogen Bond  Pes  Frontier Molecular Orbital