Analysis of diatomic bond dissociation and formation in terms of the reaction force and the position-dependent reaction force constant

Journal of Molecular Modeling

Volumn 15, Issue 6, 2009, Pages 701-706

  Murray, Jane S ^a,b   Toro Labbé, Alejandro ^c   Clark, Tim ^d   Politzer, Peter ^a,b  

^a UNIVERSITY OF NEW ORLEANS   (United States)

^b CLEVELAND STATE UNIVERSITY   (United States)

^c PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^d UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

Diatomic molecule dissociation formation; Extended Rydberg potential energy function; Position dependentreaction force constant; Reaction force; Wave function stability

Indexed keywords

CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; CONFERENCE PAPER; CONTROLLED STUDY; DISSOCIATION CONSTANT; ENERGY ABSORPTION; ENERGY TRANSFER; MOLECULAR DYNAMICS; PRIORITY JOURNAL; REACTION FORCE CONSTANT; SEPARATION TECHNIQUE; SURFACE PROPERTY;

ALGORITHMS; COMPUTER SIMULATION; KINETICS; MODELS, CHEMICAL; PHYSICOCHEMICAL PROCESSES; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 66649115482     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0400-2     Document Type: Conference Paper

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