Interfacing electronic structure theory with dynamics

Journal of physical chemistry

Volumn 100, Issue 28, 1996, Pages 11512-11525

  Gordon, Mark S ^a   Chaban, Galina ^a   Taketsugu, Tetsuya ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; MOLECULAR DYNAMICS; THEORY;

AB INITIO TRAJECTORIES; POTENTIAL ENERGY SURFACES; PSEUDOROTATION;

ELECTRONIC STRUCTURE;

EID: 0030181073     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953371o     Document Type: Article

References (83)