Literature DB >> 17973437

Computational chemistry of polyatomic reaction kinetics and dynamics: the quest for an accurate CH5 potential energy surface.

Titus V Albu1, Joaquín Espinosa-García, Donald G Truhlar.   

Abstract

Year:  2007        PMID： 17973437     DOI： 10.1021/cr078026x

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  4 in total

1.  Quasiclassical trajectory study of H+SiH4 reactions in full-dimensionality reveals atomic-level mechanisms.

Authors:  Jianwei Cao; Zhijun Zhang; Chunfang Zhang; Kun Liu; Manhui Wang; Wensheng Bian
Journal:  Proc Natl Acad Sci U S A       Date:  2009-07-29       Impact factor: 11.205

2.  Depression of reactivity by the collision energy in the single barrier H + CD4 -> HD + CD3 reaction.

Authors:  Weiqing Zhang; Yong Zhou; Guorong Wu; Yunpeng Lu; Huilin Pan; Bina Fu; Quan Shuai; Lan Liu; Shu Liu; Liling Zhang; Bo Jiang; Dongxu Dai; Soo-Ying Lee; Zhen Xie; Zeng Xie; Bastiaan J Braams; Joel M Bowman; Michael A Collins; Dong H Zhang; Xueming Yang
Journal:  Proc Natl Acad Sci U S A       Date:  2010-07-06       Impact factor: 11.205

Review 3.  Current Status of the X + C2H6 [X ≡ H, F(2P), Cl(2P), O(3P), OH] Hydrogen Abstraction Reactions: A Theoretical Review.

Authors:  Joaquin Espinosa-Garcia; Cipriano Rangel; Jose C Corchado
Journal:  Molecules       Date:  2022-06-11       Impact factor: 4.927

4.  Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism.

Authors:  Zhiqiang Zhao; Zhaojun Zhang; Shu Liu; Dong H Zhang
Journal:  Nat Commun       Date:  2017-02-22       Impact factor: 14.919
  4 in total

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