A. I. Rakhimov

Geometric and Electronic Structure of Papaverine and Its Acid Strength

V. A. Babkin, V. Yu Dmitriev, D. S. Andreev, L. M. Lisina, A. I. Rakhimov, N. A. Rakhimova, V. S. Belousova, O. A. Ponomarev, G. E. Zaikov & O. V. Stoyanov · Chemical Science International Journal · 2016

For the first time ever, the quantum-chemical calculation of papaverine molecule was performed within the framework of molecular model by methods RHF/6-311G** and DFT-PBE0/6-311G**. Optimized geometric and electronic structure of this compound was obtained. Its acid strength was...