Cagardová, Denisa; Poliak, Peter; Lukeš, Vladimír
(FCHPT STU, 2017-12-29)
Derivatives of anilide were studied systematically by the density functional theory (DFT) using the B3LYP hybrid functional and the 6-311+G(3df,2p) basis set. Characteristic frequencies of N-H and C=O stretching modes for ...