title: Ionization potentials and electron affinities of nicotinic acid and nicotinamide calculated with HAM/3.
abstract: Ionization potentials and electron affinities of nicotinic acid and nicotinamide were calculated by HAM/3. Observed photoelectron spectra of the molecules were analyzed with the aid of the calculated ionization potentials. Chemical reactivity of the molecules was discussed.
authors.affiliation: Instituto de Química, Universidade Estadual de Campinas, Brazil.
authors.forename: R
authors.initials: R
authors.lastname: Vendrame
authors.forename: Y
authors.initials: Y
authors.lastname: Takahata
mesh_terms: D008968:Molecular Conformation; D009525:Niacin / Q000737:chemistry / Q000494:pharmacology*; D009536:Niacinamide / Q000737:chemistry / Q000494:pharmacology*; D011725:Pyridines / Q000737:chemistry / Q000494:pharmacology; D012815:Signal Processing, Computer-Assisted; D013329:Structure-Activity Relationship
chemical_list: D011725:Pyridines; D009536:Niacinamide; D009525:Niacin