B3LYP-D3BJ

COCRYSTAL PREDICTION OF THE SALICYLIC ACID- NICOTINAMIDE

Salicylic acid-nicotinamide was used as a prediction model in the hydrogen bond interactions dominating a cocrystal structure. The combined conformation of the two molecules was analyzed at the B3LYP-D3BJ and WB97M-D3BJ theoretical level. The …