Transition state theory: Variational formulation, dynamical corrections, and error estimates

Journal of Chemical Physics

Volumn 123, Issue 18, 2005, Pages

  Vanden Eijnden, Eric ^a   Tal, Fabio A ^b  

^a NEW YORK UNIVERSITY   (United States)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICAL CORRECTION; TRANSITION STATE THEORY (TST); VARIATIONAL FORMULATION;

ERROR ANALYSIS; FREE ENERGY; OPTIMIZATION;

MOLECULAR VIBRATIONS;

EID: 27644558553     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2102898     Document Type: Article

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