Turovtsev V.; Chernova E.; Sitnikov V.; Emel’yanenko V.; Orlov Y.
(2016)
© 2016, Pleiades Publishing, Ltd.By means of B3LYP/6-311++G(3df,3pd) the electron density distribution in the propargyl radical CH2CCH is obtained. Within the Quantum Theory of Atoms in Molecules the phenomenon of conjugation ...