An adiabatic molecular dynamics method for the calculation of free energy profiles

Molecular Simulation

Volumn 28, Issue 1-2, 2002, Pages 91-112

  Rosso, Lula ^a   Tuckerman, Mark E ^b  

^a NEW YORK UNIVERSITY   (United States)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

AFED; Energy profiles; Harmonic oscillator; Isomerization; Molecular dynamics

Indexed keywords

AFED; ENERGY PROFILES; HARMONIC OSCILLATORS; MULTIPLE TIME SCALE LIOUVILLE OPERATOR FACTORIZATION;

DATA PROCESSING; DEGREES OF FREEDOM (MECHANICS); HIGH TEMPERATURE EFFECTS; ISOMERIZATION; MOLECULAR DYNAMICS; PROBABILITY DISTRIBUTIONS; REACTION KINETICS;

FREE ENERGY;

EID: 0002589683     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020211977     Document Type: Article

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