Phenomenological description of the transition state, and the bond breaking and bond forming processes of selected elementary chemical reactions: An information-theoretic study

Theoretical Chemistry Accounts

Volumn 124, Issue 5-6, 2009, Pages 445-460

  Esquivel, Rodolfo O ^a,b   Flores Gallegos, Nelson ^a   Iuga, Cristina ^a   Carrera, Edmundo M ^a   Angulo, Juan Carlos ^b   Antolín, Juan ^b,c  

^a UNIVERSIDAD AUTÓNOMA METROPOLITANA   (Mexico)

^b UNIVERSITY OF GRANADA   (Spain)

^c UNIVERSITY OF ZARAGOZA   (Spain)

Author keywords

Ab initio calculations; Chemical reaction; Information theory; Reaction mechanisms

Indexed keywords

EID: 73749083207     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0641-x     Document Type: Article

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