Abulyaissova, L. K.; Kenzhetaeva, S. O.; Kasymova, M. S.
(MAIK NAUKA/INTERPERIODICA/SPRINGER, 233 SPRING ST, NEW YORK, 2017-06)
Quantum-chemical simulation of the ground state [the density function B3LYP/6-31G, B3LYP/6-
31G(d), and B3LYP/6-31+G(d,p) and the perturbation theory MP2/6-31G(d) methods] and the transition states
[the B3LYP/6-31G(d) ...