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Crucial Role of Solvent-Impacted Molecular Anionic Resonances in Controlling Protonation Modes in the Acetonitrile-Water Anionic Cluster Revealed by ab Initio Molecular Dynamics Simulations 会议论文
International Conference on Theoretical and High-Performance Computational Chemistry, JUL 09-12, 2006
作者:  Wang, Shoushan;  Liu, Jinxiang;  Zhang, Changzhe;  Guo, Li;  Bu, Yuxiang
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/31
Low-frequency vibrational modes of benzoic acid investigated by terahertz time-domain spectroscopy and theoretical simulations 会议论文
international symposium on photoelectronic detection and imaging 2011: terahertz wave technologies and applications, beijing, china, may 24, 2011 - may 26, 2014
作者:  FanWen-Hui
收藏  |  浏览/下载:24/0  |  提交时间:2012/07/09
Electronically quenching through conical intersections in the OH(A2Σ+) + H2 reaction 会议论文
International Symposium on Theoretical and Computational Chemistry–2010:High Performance Computing Simulations, 中国, 2010-12-05
韩克利
收藏  |  浏览/下载:13/0  |  提交时间:2011/07/11
Glass-forming ability determined from inter-atomic potentials for some miscible/immiscible binary metal systems 会议论文
Journal of Materials Science, 4th International Conference on Mechanochemistry and Mechanical Alloying (INCOME 2003), Braunschweig, Germany, INSPEC
Liu, B.X.; Gong, H.R.; Guo, H.B.; Kong, L.T.
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Investigating the molecular mechanisms of protein folding kinetics using a tightly joined experimental and theoretical approach 会议论文
china-israel workshop on: dynamics and control of quntum systems, 以色列, 2010-3-23
庄巍
收藏  |  浏览/下载:9/0  |  提交时间:2011/07/11


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