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浏览/检索结果: 共10条，第1-10条 帮助 限定条件 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：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 A new NMR crystallographic approach to reveal the calcium local structure of atorvastatin calcium 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 12, 页码: 6319-6326 作者:  Holmes, Sean T.;  Wang, Wei D.;  Hou, Guangjin;  Dybowski, Cecil;  Wang, Wei 收藏  |  浏览/下载：38/0  |  提交时间：2019/06/20 A new nmr crystallographic approach to reveal the calcium local structure of atorvastatin calcium 期刊论文 Physical chemistry chemical physics, 2019, 卷号: 21, 期号: 12, 页码: 6319-6326 作者:  Holmes, Sean T.;  Wang, Wei D.;  Hou, Guangjin;  Dybowski, Cecil;  Wang, Wei 收藏  |  浏览/下载：43/0  |  提交时间：2019/05/08 A theoretical approach for simulations of anisotropic charge carrier mobility in organic single crystal semiconductors 期刊论文 ORGANIC ELECTRONICS, 2018, 卷号: 53, 页码: 165-184 作者:  Liu, Yuan;  Chu, Tianshu 收藏  |  浏览/下载：23/0  |  提交时间：2019/06/20 Organic Single Crystal Semiconductors  Charge Carrier Mobility  Angular Resolution Anisotropic Mobility  Effective One-dimensional Diffusion Equation Model  N-type And P-type Organic Electronic Materials   A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids 期刊论文 MOLECULES, 2018, 卷号: 23, 期号: 1 作者:  Chu, Huiying;  Peng, Xiangda;  Li, Yan;  Zhang, Yuebin;  Li, Guohui 收藏  |  浏览/下载：27/0  |  提交时间：2019/06/20 Lipid Polarizable Force Field  Dmpg  Pops   Database Mining of Zeolite Structures 期刊论文 CRYSTAL GROWTH & DESIGN, 2017, 卷号: 17, 期号: 12, 页码: 6821-6835 作者:  Guo, Peng;  Yan, Nana;  Wang, Lei;  Zou, Xiaodong 收藏  |  浏览/下载：24/0  |  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   The prediction of a family group of two-dimensional node-line semimetals 期刊论文 NANOSCALE, 2017, 卷号: 9, 期号: 35, 页码: 13112-13118 作者:  Jin, Yuan-Jun;  Tong, S. Y.;  Xu, Hu;  Wang, Rui;  Zhao, Jin-Zhu 收藏  |  浏览/下载：15/0  |  提交时间：2017/12/20 The prediction of a family group of two-dimensional node-line semimetals 期刊论文 NANOSCALE, 2017, 卷号: 9, 期号: 35, 页码: 13112-13118 作者:  Jin, Yuan-Jun;  Wang, Rui;  Zhao, Jin-Zhu;  Du, Yong-Ping;  Zheng, Can-Di 收藏  |  浏览/下载：15/0  |  提交时间：2017/12/20 Quantitative prediction of charge mobilities of pi-stacked systems by first-principles simulation 期刊论文 nature protocols, 2015, 卷号: 10, 期号: 4, 页码: 632-642 作者:  Deng, Wei-Qiao;  Sun, Lei;  Huang, Jin-Dou;  Chai, Shuo;  Wen, Shu-Hao 收藏  |  浏览/下载：25/0  |  提交时间：2015/11/17