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A cooperative computational and experimental investigation on electrochemical behavior of metoprolol and its voltammetric determination
(CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS, 2013)The electrochemical behavior of metoprolol (MTP) was studied via experimental and computational approaches. Theoretical calculations were performed at the B3LYP/6-31+ G(d)//AM1 level whereas experimental studies were carried ... -
Theoretical investigations on the structural, spectroscopic, electronic and thermodynamic properties of (3-Oxo-3H-benzo[f]chromen-1yl)methyl N,N-dimethylcarbamodithioate-1ex
(DE GRUYTER POLAND SP ZOO, 2017)Hartree-Fock and Density Functional Theory (B3LYP, B3PW91) calculations for the ground state of (3-Oxo-3H-benzo[f]chromen-1-yl) methyl N,N-dimethylcarbamodithioate have been presented and the calculated structural parameters ...