Decomposition mechanisms and dynamics of N 6: Bond orders and partial charges along classical trajectories

Chemical Physics Letters

Volumn 531, Issue , 2012, Pages 46-51

  Hirshberg, Barak ^a   Gerber, R Benny ^a,b  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; BOND ORDERS; CLASSICAL TRAJECTORIES; DECOMPOSITION DYNAMIC; DECOMPOSITION MECHANISM; DIELS-ALDER; NATURAL BOND ORBITAL; PARTIAL CHARGES;

DECOMPOSITION; DYNAMICS; MOLECULAR DYNAMICS; REACTION KINETICS;

ISOMERS;

EID: 84858749420     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.01.088     Document Type: Article

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