Ab initio intermolecular potential energy surface and second pressure virial coefficients of methane

Journal of Chemical Physics

Volumn 128, Issue 21, 2008, Pages

  Hellmann, Robert ^a   Bich, Eckard ^a   Vogel, Eckhard ^a  

^a UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

(001) PARAMETER; (2+1)-DIMENSIONAL; (E ,2E) THEORY; (P ,P ,T) MEASUREMENTS; AB INITIO; AB INITIO COMPUTATIONS; BASIS SETS; CCSD(T); COMPLETE BASIS SET (CBS) LIMITS; DISPERSION COEFFICIENTS; INTERACTION ENERGIES; INTERMOLECULAR POTENTIAL ENERGY; LOW TEMPERATURE (LTR); MEASURED VALUES; METHANE MOLECULES; POTENTIAL ENERGY HYPERSURFACE (PEHS); POTENTIAL FUNCTIONS; QUANTITATIVE AGREEMENT; QUANTUM-MECHANICAL (QM); ROOM-TEMPERATURE (RT); SECOND VIRIAL COEFFICIENT (SVC); SEMI-EMPIRICAL; TEMPERATURE RANGES; VIRIAL COEFFICIENTS; ZERO POINT;

EID: 44849111885     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2932103     Document Type: Article

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