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Volumn 135, Issue 13, 2011, Pages

A general and efficient Monte Carlo method for sampling intramolecular degrees of freedom of branched and cyclic molecules

(2) Shah, Jindal K a,b Maginn, Edward J a

a University of Notre Dame (United States)

b UNIVERSITY OF NOTRE DAME (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BRANCH POINTS; COEXISTENCE CURVE; CONFORMATIONAL SPACE; CYCLIC MOLECULES; EXOCYCLIC ATOMS; GIBBS ENSEMBLE; ISOBUTANES; METHYLCYCLOHEXANE; MONTE CARLO ALGORITHMS; NEOPENTANE; SAMPLING METHOD; VALIDATION STUDY;

BUTANE; MECHANICS; MOLECULES; PROBABILITY DISTRIBUTIONS; PROPANE;

MONTE CARLO METHODS;

EID: 80054699540 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3644939 Document Type: Article

Times cited : (73)

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