Highly correlated ab initio study of the far infrared spectra of methyl acetate

Journal of Chemical Physics

Volumn 138, Issue 4, 2013, Pages

  Senent, M L ^a   Dominguez Gomez R ^b   Carvajal, M ^c   Kleiner, I ^d  

^a INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

^b UNIVERSIDAD POLITÉCNICA DE MADRID   (Spain)

^c UNIVERSITY OF HUELVA   (Spain)

^d LABORATOIRE INTERUNIVERSITAIRE DES SYSTÈMES ATMOSPHÉRIQUES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO STUDY; ANHARMONIC; BAND CENTERS; CCSD; EXPERIMENTAL DATUM; FAR INFRARED SPECTRUM; GASPHASE; HIGHLY-CORRELATED; INTERNAL ROTATIONS; ISOTOPOLOGUES; LOW TEMPERATURES; METHYL ACETATES; METHYL TORSION; ROVIBRATIONAL; SPECTROSCOPIC PARAMETERS; TORSIONAL STATE; VIBRATIONAL MODES;

QUANTUM CHEMISTRY; SEPARATION; TORSIONAL STRESS; VOLATILE FATTY ACIDS;

SPECTROSCOPY;

ACETIC ACID DERIVATIVE; METHYL ACETATE;

ARTICLE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY;

ACETATES; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED;

MLCS; MLOWN;

EID: 84873573863     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4789413     Document Type: Article

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