Quantum free energies of the conformers of glycine on an ab initio potential energy surface

Physical Chemistry Chemical Physics

Volumn 6, Issue 10, 2004, Pages 2563-2571

  Miller III, Thomas F ^a   Clary, David C ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

GLYCINE;

AB INITIO CALCULATION; ALGORITHM; ARTICLE; CONFORMATION; ELECTRIC POTENTIAL; ENERGY; EQUILIBRIUM CONSTANT; MONTE CARLO METHOD; QUANTUM CHEMISTRY; SURFACE PROPERTY; THEORETICAL MODEL; THERMODYNAMICS;

EID: 3042654987     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b314644h     Document Type: Article

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