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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 Synergy of Single-Atom Ni-1 and Ru-1 Sites on CeO2 for Dry Reforming of CH4 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 141, 期号: 18, 页码: 7283-7293 作者:  Tang, Yu;  Wei, Yuechang;  Wang, Ziyun;  Zhang, Shiran;  Li, Yuting 收藏  |  浏览/下载：121/0  |  提交时间：2019/06/25 Dynamical Transformation of Two-Dimensional Perovskites with Alternating Cations in the Interlayer Space for High-Performance Photovoltaics 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 141, 期号: 6, 页码: 2684-2694 作者:  Liu, Zhike;  Jin, Shengye;  Kanatzidis, Mercouri G.;  Liu, Shengzhong Frank;  Arnassian, Aram 收藏  |  浏览/下载：64/0  |  提交时间：2019/06/20 Dynamical transformation of two-dimensional perovskites with alternating cations in the interlayer space for high-performance photovoltaics 期刊论文 Journal of the american chemical society, 2019, 卷号: 141, 期号: 6, 页码: 2684-2694 作者:  Zhang, Yalan;  Wang, Peijun;  Tang, Ming-Chun;  Barrit, Dounya;  Ke, Weijun 收藏  |  浏览/下载：94/0  |  提交时间：2019/05/08 Metal/oxide interfacial effects on the selective oxidation of primary alcohols 期刊论文 NATURE COMMUNICATIONS, 2017, 卷号: 8 作者:  Li, Yadong;  Bao, Xinhe;  Hu, Peijun;  Zhao, Guofeng;  Yang, Fan 收藏  |  浏览/下载：33/0  |  提交时间：2017/10/29 Understanding enzyme reactions using enhanced sampling techniques 期刊论文 MOLECULAR SIMULATION, 2016, 卷号: 42, 期号: 10, 页码: 846-854 作者:  Cao, Liaoran;  Cheng, Liwei;  Tang, Tianbao;  Liu, Jiahui;  Zhang, Depeng 收藏  |  浏览/下载：20/0  |  提交时间：2019/06/20 Enhanced Sampling  Path Finding  Enzyme Reactions  Rare Events   Some polarisable force fields for molecular dynamics simulations of lipids, and bilayers 期刊论文 MOLECULAR SIMULATION, 2016, 卷号: 42, 期号: 10, 页码: 820-826 作者:  Cheng, Liwei;  Guo, Wei;  Chu, Huiying;  Cao, Liaoran;  Zhang, Depeng 收藏  |  浏览/下载：27/0  |  提交时间：2019/06/20 Polarisable Force Field  Electrostatic Interaction   Advancement of Polarizable Force Field and Its Use for Molecular Modeling and Design 期刊论文 advance in structural bioinformatics, 2015, 卷号: 827, 页码: 19-32 作者:  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Chu, Huiying;  Liu, Jiahui 收藏  |  浏览/下载：28/0  |  提交时间：2015/11/17 Polarizable force field  AMOEBA  Fluctuating charge model  Induced point dipole model  Molecular modeling   Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model 期刊论文 advance in structural bioinformatics, 2015, 卷号: 827, 页码: 93-110 作者:  Wu, Xue;  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Fu, Ting 收藏  |  浏览/下载：41/0  |  提交时间：2015/11/17 Trefoil  Knot  High-temperature unfolding  Go-model  Fold   Binding Modes and Interaction Mechanism Between Different Base Pairs and Methylene Blue Trihydrate: A Quantum Mechanics Study 期刊论文 advance in structural bioinformatics, 2015, 卷号: 827, 页码: 187-203 作者:  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Chu, Huiying;  Shen, Hujun 收藏  |  浏览/下载：29/0  |  提交时间：2015/11/17 DNA base pairs  Intercalators methylene blue trihydrate  Quantum mechanic methods  Charge density   Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes 期刊论文 advance in structural bioinformatics, 2015, 卷号: 827, 页码: 123-141 作者:  Wu, Xue;  Xu, Peijun;  Wang, Jinguang;  Xu, Yong;  Fu, Ting 收藏  |  浏览/下载：27/0  |  提交时间：2015/11/17 G-quadruplex  Go-model  Fold