V. А. Babkin

The Relationship between the Antimicrobial Properties of Benzylpenicillin and the Quantum Chemical Parameters of Its Structure (The DFT Method)

V. А. Babkin, D. S. Andreev, А. А. Pristanskov, L. М. Lisina, А. I. Rakhimov, N. А. Rakhimova, V. S. Belousova & G. E. Zaikov · Chemical Science International Journal · 2015

The relationship between the antimicrobial properties of benzylpenicillin and its electronic structure, the analysis of which has been carried out by the quantum chemical DFT-PBE0 / 6-311g **method, has been examined   for the first time. The carbonyl groups of benzylpenicillin r...