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| Quasi-classical trajectory study of the H+HLi reaction on a new ab initio potential energy surface for the ground electronic state 会议论文
烟台, 2015-8-10
作者: Qi Li[1]; Shuangjiang Lv[1]; Tiantian Wang[1]; Xinguo Liu[1]; Xiaohu He[1]
  收藏 | 浏览/下载：6/0 | 提交时间：2020/01/07 |
| Ab initio molecular dynamics simulation on stress reduction mechanism of Ti-doped diamond-like carbon films 会议论文
JUL 15-18, 2014
作者: Li, Xiaowei; Ke, Peiling; Wang, Aiying; Wang, AY
收藏 | 浏览/下载：8/0 | 提交时间：2018/01/12
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| Theoretical investigation of dissociative low-energy-electron attachment to 5-bromopyrimidine 会议论文
中国化学会第29届学术年会
作者: Changzhe Zhang; Yuxiang Bu
收藏 | 浏览/下载：1/0 | 提交时间：2019/12/31
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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 |
| Computational modeling of full-length prochemerin from human 会议论文
IEEE-EMBS International Conference on Biomedical and Health Informatics, BHI 2012. In Conj. with the 8th Int. Symp.on Medical Devices and Biosensors and the 7th Int. Symp. on Biomedical and Health Engineering, Hong Kong
作者: Huang qingsheng; Xiao tianxia; Zhang jian V.
收藏 | 浏览/下载：9/0 | 提交时间：2015/08/25 |
| Electronically quenching through conical intersections in the OH(A2∑+) + H2 reaction 会议论文
The XVIII European Conference on Dynamics of Molecular Systems, 葡萄牙, 2010-9-05
韩克利
收藏 | 浏览/下载：9/0 | 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.
收藏 | 浏览/下载：6/0 |
| 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 |
| The dynamics of the prototype abstraction reaction Cl+H2 on new coupled potential energy surfaces 会议论文
xxiii international symposium on molecular beams, 中国, 2009-06-01
张爱杰; 韩克利; 何国钟
收藏 | 浏览/下载：14/0 | 提交时间：2011/07/11 |
| OH Produced from o-nitrophenol photolysis: A combined experimental and theoretical investigation 会议论文
xxiii international symposium on molecular beams, 中国, 2009-6-1
程世博; 周灿华; 孙巨龙; 尹鸿鸣; 韩克利
收藏 | 浏览/下载：17/0 | 提交时间：2011/07/11 |
