Finding reaction paths using the potential energy as reaction coordinate

Journal of Chemical Physics

Volumn 128, Issue 10, 2008, Pages

  Aguilar Mogas, Antoni ^a   Giḿnez, Xavier ^a   Bofill, Josep Maria ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CURVE FITTING; PARAMETERIZATION; REACTION KINETICS; VARIATIONAL TECHNIQUES;

INTRINSIC REACTION COORDINATE CURVE (IRC); MATHEMATICAL THEORY;

POTENTIAL ENERGY;

EID: 40949088588     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2834930     Document Type: Article

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