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Journal of Molecular Structure: THEOCHEM

Volumn 433, Issue 1-3, 1998, Pages 263-278

Nonrigidity of molecules in solvent and its impact on infrared spectrum: Substituted phenols and trimethylamine N-oxide. I

(2) Alvarez Idaboy, J R a,b Kryachko, E S a,c

a INSTITUTO DE ESTRUCTURA DE LA MATERIA (Spain)

b UNIVERSITY OF HAVANA (Cuba)

c BOGOLYUBOV INSTITUTE FOR THEORETICAL PHYSICS (Ukraine)

Author keywords

Cramer Truhlar SM3 solvation model; H bonding theory; Infrared spectra; PM3 method; Proton transfer; R substituted phenol; Trimethylamine N oxide

Indexed keywords

EID: 0005379305 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(98)00032-3 Document Type: Article

Times cited : (3)

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