Theoretical study of the binding energy of a methane molecule in a (H 2O)20 dodecahedral cage

Journal of Physical Chemistry B

Volumn 118, Issue 28, 2014, Pages 8257-8263

  Deible, Michael J ^a   Tuguldur, Odbadrakh ^a   Jordan, Kenneth D ^a  

^a UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DISPERSIONS; METHANE; MOLECULES;

DIFFUSION MONTE CARLO METHOD; DISPERSION CONTRIBUTION; DMC METHOD; INTERACTION ENERGIES; METHANE MOLECULES; SYMMETRY ADAPTED PERTURBATION THEORY; THEORETICAL STUDY; WATER CAGE;

MONTE CARLO METHODS;

EID: 84903945735     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp501592h     Document Type: Article

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