Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High-level ab initio calculations of CF4 and C2F6 dimers

Journal of Chemical Physics

Volumn 116, Issue 8, 2002, Pages 3309-3315

  Tsuzuki, Seiji ^a   Uchimaru, Tadafumi ^a   Mikami, Masuhiro ^a   Urata, Shingo ^b  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b RESEARCH INSTITUTE OF INNOVATIVE TECHNOLOGY FOR THE EARTH   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; CHARGE TRANSFER; CHLOROFLUOROCARBONS; CORRELATION METHODS; DIMERS; ELECTRONS; ELECTROSTATICS; MOLECULAR ORIENTATION; MONOMERS; OPTIMIZATION; PARAFFINS; PERTURBATION TECHNIQUES; POLARIZATION; VAPORIZATION;

INTERMOLECULAR INTERACTION;

MOLECULAR DYNAMICS;

EID: 0037154566     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1436468     Document Type: Article

References (34)