The vibrational properties of formic acid as monomer and dimer: A DFT study

Vibrational Spectroscopy

Volumn 37, Issue 2, 2005, Pages 179-187

  Fernandez L E ^a   Marigliano, A C Gómez ^a   Varetti, E L ^b  

^a UNIVERSIDAD NACIONAL DE TUCUMÁN   (Argentina)

^b UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

Author keywords

DFT calculations; Force constants; Formic acid; Formic acid dimers

Indexed keywords

DIMERS; HARMONIC ANALYSIS; HYDROGEN BONDS; MONOMERS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RAMAN SCATTERING;

DFT CALCULATIONS; FORCE CONSTANTS; FORMIC ACID; FORMIC ACID DIMERS;

CARBOXYLIC ACIDS;

EID: 14044269391     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2004.09.001     Document Type: Article

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