Literature DB >> 11562248

Dynamics of water molecules in the Br(-) solvation shell: an ab initio molecular dynamics study.

S Raugei1, M L Klein.   

Abstract

Entities:  

Year:  2001        PMID： 11562248     DOI： 10.1021/ja011030k

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


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  4 in total

1.  Ab initio molecular dynamics calculations of ion hydration free energies.

Authors:  Kevin Leung; Susan B Rempe; O Anatole von Lilienfeld
Journal:  J Chem Phys       Date:  2009-05-28       Impact factor: 3.488

2.  Formation of HONO from the NH3-promoted hydrolysis of NO2 dimers in the atmosphere.

Authors:  Lei Li; Zhiyao Duan; Hui Li; Chongqin Zhu; Graeme Henkelman; Joseph S Francisco; Xiao Cheng Zeng
Journal:  Proc Natl Acad Sci U S A       Date:  2018-06-25       Impact factor: 11.205

3.  Computational investigation on the new high energy density material of aluminum enriched 1, 1-diamino-2, 2-dinitroethylene.

Authors:  Liang Bian; Yuanjie Shu; Jinbao Xu; Lei Wang
Journal:  J Mol Model       Date:  2012-07-24       Impact factor: 1.810

4.  Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations.

Authors:  Rongxing He; Lei Li; Jie Zhong; Chongqin Zhu; Joseph S Francisco; Xiao Cheng Zeng
Journal:  Proc Natl Acad Sci U S A       Date:  2016-04-11       Impact factor: 11.205
  4 in total

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