Vibrational analysis of nicotinic acid species based on ab initio molecular orbital calculations

Journal of Molecular Structure

Volumn 565-566, Issue , 2001, Pages 411-416

  Sala, O ^a   Goncalves N S ^b   Noda, L K ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b FEDERAL UNIVERSITY OF SANTA CATARINA   (Brazil)

Author keywords

Ab initio; Density functional theory; Hartree Fock; Nicotinic acid; Raman spectroscopy; Second order M ller Plesset; Vibrational analysis

Indexed keywords

NICOTINIC ACID;

AQUEOUS SOLUTION; CALCULATION; CHEMICAL STRUCTURE; CONFERENCE PAPER; DENSITY; PH; PKA; RAMAN SPECTROMETRY; VIBRATION;

EID: 0035972668     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(00)00936-4     Document Type: Conference Paper

References (9)