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浏览/检索结果: 共12条，第1-10条 帮助 限定条件 发表日期：2019     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 A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties 期刊论文 ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143 作者:  Qi, Yutai;  Lu, Meiheng;  Wang, Yi;  Tang, Zhe;  Gao, Ziqing 收藏  |  浏览/下载：103/0  |  提交时间：2019/12/02 Intramolecular charge transfer and solvation dynamics of push-pull dyes with different pi-conjugated linkers 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 31, 页码: 17323-17331 作者:  Niu, Xinmiao;  Gautam, Prabhat;  Kuang, Zhuoran;  Yu, Craig P.;  Guo, Yuanyuan 收藏  |  浏览/下载：57/0  |  提交时间：2019/09/30 Probing solvation and reactivity in ionized polycyclic aromatic hydrocarbon-water clusters with photoionization mass spectrometry and electronic structure calculations 期刊论文 FARADAY DISCUSSIONS, 2019, 卷号: 217, 页码: 414-433 作者:  Xu, Bo;  Stein, Tamar;  Ablikim, Utuq;  Jiang, Ling;  Hendrix, Josie 收藏  |  浏览/下载：47/0  |  提交时间：2019/12/02 The Influence of Sodium Iodide Salt on the Interfacial Properties of Aqueous Methanol Solution by a Combined Molecular Simulation and Sum Frequency Generation Vibrational Spectroscopy Study 期刊论文 LANGMUIR, 2019, 卷号: 35, 期号: 21, 页码: 7050-7059 作者:  Liu, Jianchuan;  Li, Xia;  Hou, Jian;  Li, Xun;  Lu, Zhou 收藏  |  浏览/下载：42/0  |  提交时间：2019/07/26 Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 17, 页码: 3703-3708 作者:  Yang, Dong;  Kong, Xiangtao;  Zheng, Huijun;  Su, Mingzhi;  Zhao, Zhi 收藏  |  浏览/下载：48/0  |  提交时间：2019/06/20 A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21 作者:  Xu, Zhen-Zhen;  Fan, Hong-Jun 收藏  |  浏览/下载：38/0  |  提交时间：2019/06/20 binding enthalpy  conformational search  hydrogen bond  proton transfer  ternary cluster   A theoretical investigation on the structures of (nh3)center dot(h2so4)center dot(h2o)(0-14) clusters 期刊论文 International journal of quantum chemistry, 2019, 卷号: 119, 期号: 7, 页码: 21 作者:   收藏  |  浏览/下载：72/0  |  提交时间：2019/05/08 Binding enthalpy  Conformational search  Hydrogen bond  Proton transfer  Ternary cluster   Infrared Photodissociation Spectroscopic and Theoretical Study of [Co(CO2)(n)](+) Clusters 期刊论文 CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 2, 页码: 223-228 作者:  Yang, Dong;  Su, Ming-zhi;  Zheng, Hui-jun;  Zhao, Zhi;  Li, Gang 收藏  |  浏览/下载：62/0  |  提交时间：2019/06/25 Cationic cobalt  Carbon dioxide  Structure  Infrared photodissociation spectroscopy  Quantum chemical calculation   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 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：46/0  |  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 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：38/0  |  提交时间：2019/05/08 Frontier molecular orbital  Infrared spectra  Intramolecular hydrogen bond  Potential energy curves  Proton transfer