机构

• 大连化学物理研究所 [26]
• 金属研究所 [5]
• 化学研究所 [3]
• 过程工程研究所 [3]
• 上海药物研究所 [2]
• 物理研究所 [1]
• 更多

采集方式

• OAI收割 [41]
• iSwitch采集 [6]

内容类型

• 期刊论文 [46]
• 会议论文 [1]

发表日期

• 2020 [2]
• 2019 [9]
• 2018 [8]
• 2017 [7]
• 2016 [3]
• 2015 [2]
• 更多

学科主题

• Chemistry [1]
• Materials ... [1]

筛选

浏览/检索结果: 共47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 Water in confinement of epoxy layer and hydroxylated (001) gamma-alumina: An atomistic simulation view 期刊论文  OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 307, 页码: 10 作者:  Soleymanibrojeni, Mohammad;  Shi, Hongwei;  Liu, Fuchun;  Han, En-Hou   |  收藏  |  浏览/下载：16/0  |  提交时间：2021/02/02 Water at interface  Subdiffusion behavior  Power spectra  RDF  SDF  Hydrogen bond energy   Water in confinement of epoxy layer and hydroxylated (001) gamma-alumina: An atomistic simulation view 期刊论文  OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 307, 页码: 10 作者:  Soleymanibrojeni, Mohammad;  Shi, Hongwei;  Liu, Fuchun;  Han, En-Hou   |  收藏  |  浏览/下载：16/0  |  提交时间：2021/02/02 Water at interface  Subdiffusion behavior  Power spectra  RDF  SDF  Hydrogen bond energy   A time-dependent density functional theory study on the excited state behavior of a novel T-2(OH)B molecule 期刊论文  OAI收割 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8 作者:  Jia, Min;  Song, Xiaoyan;  Yang, Xiaohui;  Yang, Dapeng   |  收藏  |  浏览/下载：65/0  |  提交时间：2019/12/02 charge distribution  ESIPT  intramolecular hydrogen bond  potential energy curve   Theoretical elaboration about the excited state dynamical behaviors for a novel fluorescent sensor 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 5, 页码: 7 作者:  Zhang, Tianjie;  Zhang, Qiaoli;  Lu, Xuemei;  Jia, Min;  Song, Xiaoyan   |  收藏  |  浏览/下载：82/0  |  提交时间：2019/06/20 charge redistribution  ESIPT  intramolecular hydrogen bond  potential energy curves   Theoretical exploration about excited state proton transfer mechanism for a series of phenol-quinoline compounds 期刊论文  OAI收割 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 4, 页码: 371-376 作者:  Zhang, Tianjie;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Yang, Dapeng   |  收藏  |  浏览/下载：67/0  |  提交时间：2019/06/25 ESIPT  intramolecular hydrogen bond  IR spectra  MOs  potential energy curves   The excited state hydrogen bond and proton transfer mechanism of a novel dye CS-Azine 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 2, 页码: 8 作者:  Zhang, Qiaoli;  Yang, Dapeng;  Jia, Min;  Yang, Guang;  Song, Xiaoyan   |  收藏  |  浏览/下载：28/0  |  提交时间：2019/06/20 charge redistribution  intramolecular hydrogen bond  potential energy curves   The excited state hydrogen bond and proton transfer mechanism of a novel dye cs-azine 期刊论文  iSwitch采集 Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 2, 页码: 8 作者:  Jia, Min;  Yang, Guang;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng 收藏  |  浏览/下载：39/0  |  提交时间：2019/05/08 Charge redistribution  Intramolecular hydrogen bond  Potential energy curves   A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor 期刊论文  OAI收割 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 49-55 作者:  Song, Xiaoyan;  Zhang, Qiaoli;  Lv, Jian;  Yang, Guang;  Jia, Min   |  收藏  |  浏览/下载：94/0  |  提交时间：2019/06/20 charge transfer  ESIPT  intramolecular hydrogen bond  potential energy curves   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：57/0  |  提交时间：2019/06/20 frontier molecular orbital  infrared spectra  intramolecular hydrogen bond  potential energy curves  proton transfer   A theoretical study on the excited-state intramolecular proton transfer mechanism of 4-dimethylaminoflavonol chemosensor 期刊论文  iSwitch采集 Journal of the chinese chemical society, 2019, 卷号: 66, 期号: 1, 页码: 49-55 作者:  Lv, Jian;  Yang, Guang;  Jia, Min;  Zhao, Jinfeng;  Song, Xiaoyan 收藏  |  浏览/下载：92/0  |  提交时间：2019/05/08 Charge transfer  Esipt  Intramolecular hydrogen bond  Potential energy curves