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浏览/检索结果: 共91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发表日期升序发表日期降序提交时间升序提交时间降序作者升序作者降序 Tactfully regulating the ESIPT mechanism of novel benzazolyl-4-quinolones fluorophore by atomic electronegativity 期刊论文  OAI收割 CHEMICAL PHYSICS, 2025, 卷号: 590, 页码: 112545 作者:  Zhang, Qingqing;  Li, Shun;  Yuan, Saifei;  Qiu, Xiaole;  Yang, Chuan-Lu   |  收藏  |  浏览/下载：2/0  |  提交时间：2025/02/25 Atomic electronegativity  Excited state intramolecular proton transfer  Hydrogen bond  Potential energy curve  Energy barrier   Variation characteristics analysis of sandstone strength parameters in discrete element method by using internal scale ratio 期刊论文  OAI收割 COMPUTATIONAL PARTICLE MECHANICS, 2023, 卷号: 10, 期号: 5, 页码: 1145 作者:  Zhang, Yao;  Guo, Shaoqiang;  Yin, Xiaotao   |  收藏  |  浏览/下载：154/0  |  提交时间：2023/08/02 Particle flow  Bond strength  Numerical test  Energy   A novel binary-medium breakage model for loess in an acidic aqueous environment 期刊论文  OAI收割 BULLETIN OF ENGINEERING GEOLOGY AND THE ENVIRONMENT, 2023, 卷号: 82, 期号: 6, 页码: - 作者:  Zhang, Yao;  Chen, Chenghao;  Gao, Shuaifeng;  Guo, Shaoqiang;  Li, Ning   |  收藏  |  浏览/下载：29/0  |  提交时间：2023/08/02 Breakage mechanics  Energy equation  Calcareous bond  Structural body  Weak zone   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：18/0  |  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：17/0  |  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：68/0  |  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：84/0  |  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：69/0  |  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：32/0  |  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：40/0  |  提交时间：2019/05/08 Charge redistribution  Intramolecular hydrogen bond  Potential energy curves