Accurate determination of the equilibrium and vibrationally averaged structural and molecular properties of difluoromethanimine (F2CNH) from ab initio calculations

Journal of Physical Chemistry A

Volumn 108, Issue 18, 2004, Pages 4138-4145

  Puzzarini, Cristina ^a   Gambi, Alberto ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b UNIVERSITY OF UDINE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ELECTRIC FIELD EFFECTS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; FUNCTIONS; GEOMETRY; GROUND STATE; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC COMPOUNDS; PERTURBATION TECHNIQUES; X RAY DIFFRACTION ANALYSIS; X RAY PHOTOELECTRON SPECTROSCOPY;

DIFLUOROMETHANIMINE; MOLECULAR PROPERTIES; NUCLEAR QUADRAPOLE COUPLING CONSTANTS;

FLUORINE COMPOUNDS;

EID: 2442695344     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp049838p     Document Type: Article

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