Open AccessInvestigating the ground-state rotamers of n-propylperoxy radical
Author(s) -
Preston R. Hoobler,
Justin M. Turney,
Henry F. Schaefer
Publication year - 2016
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4966264
Subject(s) - conformational isomerism , anharmonicity , coupled cluster , ab initio , perturbation theory (quantum mechanics) , zero point energy , chemistry , potential energy surface , ground state , molecule , ab initio quantum chemistry methods , bond length , atomic physics , physics , computational chemistry , crystallography , molecular physics , quantum mechanics , organic chemistry