Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methods

Journal of Computational Chemistry

Volumn 29, Issue 8, 2008, Pages 1268-1276

  Levi, Chen ^a   Martin, Jan M L ^b   Bar, Ilana ^a  

^a BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

^b WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

Anharmonic force fields; Coupled cluster; Density functional theory; Isotopologues; Methylamine

Indexed keywords

CLUSTER ANALYSIS; DENSITY FUNCTIONAL THEORY; HARMONIC ANALYSIS; POLARIZATION; RESONANCE; VIBRATIONAL SPECTRA;

ANHARMONIC FORCE FIELDS; COUPLED CLUSTERS; DOMINANT RESONANCES; ISOTOPOLOGUES; METHYLAMINES;

AROMATIC COMPOUNDS;

EID: 42649114077     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20885     Document Type: Article

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