A high level computational study of the CH 4/CF 4 dimer: How does it compare with the CH 4/CH 4 and CF 4/CF 4 dimers?

Molecular Physics

Volumn 110, Issue 7, 2012, Pages 377-387

  Biller, Matthew J ^a   Mecozzi, Sandro ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

ab initio; fluorous molecules; intermolecular forces; van der Waals interactions

Indexed keywords

AB INITIO; BASIS SET SUPERPOSITION ERRORS; BASIS SETS; CCSD; COMPUTATIONAL STUDIES; COUNTERPOISE METHODS; COUPLED-CLUSTER THEORY; CRITICAL SOLUTION TEMPERATURE; DENSITY FUNCTIONAL THEORIES (DFT); ENERGY DIFFERENCES; FLUOROUS; FUNCTIONALS; HARTREE-FOCK METHODS; INTERACTION ENERGIES; INTERMOLECULAR FORCES; METHANE MOLECULES; MODEL DISPERSION; MULTIPLE ORDERS; PERTURBATION THEORY; VAN DER WAALS INTERACTIONS;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; METHANE; MOLECULES; PHASE SEPARATION; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

DIMERS;

EID: 84859787980     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2011.648961     Document Type: Article

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