Premium
The ground state potential energy surface of methyl fluoride dimer
Author(s) -
Hasanein Ahmed A.
Publication year - 1984
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540050605
Subject(s) - dimer , basis set , dipole , ground state , ab initio , fluoride , molecular orbital , bond dissociation energy , mulliken population analysis , potential energy surface , dissociation (chemistry) , chemistry , computational chemistry , atomic physics , molecular physics , ab initio quantum chemistry methods , molecule , physics , density functional theory , inorganic chemistry , organic chemistry
Potential energy surface for methyl fluoride dimer has been studied theoretically with ab initio molecular orbital method, using a 4‐31G basis set. Dimer dissociation energies, Mulliken electronic populations, and dipole moments were obtained.