Ionization potentials and electron affinities of nicotinic acid and nicotinamide calculated with HAM/3.
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.
Vendrame
R
R
Instituto de Química, Universidade Estadual de Campinas, Brazil.
Takahata
Y
Y
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
D011725:Pyridines; D009536:Niacinamide; D009525:Niacin