Accurate molecular structures and infrared spectra of trans-2,3- dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane

Journal of Chemical Physics

Volumn 141, Issue 3, 2014, Pages

  Barone, Vincenzo ^a   Biczysko, Malgorzata ^a,b   Bloino, Julien ^a,b   Puzzarini, Cristina ^c  

^a SCUOLA NORMALE SUPERIORE   (Italy)

^b CNR   (Italy)

^c UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

QUANTUM CHEMISTRY;

ANHARMONIC CONTRIBUTIONS; CHIROPTICAL SPECTROSCOPY; COMPLETE BASIS SET LIMIT; COMPUTATIONAL APPROACH; GROUND ELECTRONIC STATE; HARMONIC AND ANHARMONIC FREQUENCIES; QUANTUM-CHEMICAL CALCULATION; VIBRATIONAL WAVENUMBERS;

MOLECULAR STRUCTURE;

EID: 84904693803     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4887357     Document Type: Article

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