Open AccessAnharmonic modeling of the conformation-specific IR spectra of ethyl, n-propyl, and n-butylbenzene
Author(s) -
Daniel P. Tabor,
Daniel M. Hewett,
Sebastian Bocklitz,
Joseph A. Korn,
Anthony J. Tomaine,
Arun K. Ghosh,
Timothy S. Zwier,
Edwin L. Sibert
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 - 10.1063/1.4953181
Subject(s) - conformational isomerism , anharmonicity , dihedral angle , spectral line , fermi resonance , chemistry , hamiltonian (control theory) , molecule , alkyl , resonance (particle physics) , computational chemistry , crystallography , molecular physics , atomic physics , physics , hydrogen bond , quantum mechanics , organic chemistry , mathematics , mathematical optimization