Abstract
We have carried out nonempirical quantum-chemical calculations for five-membered heterocyclic molecules containing O or S atoms and also P or As atoms in the ring, using RHF/6-31G(d) and MP2/6-31G(d) methods with full optimization of their geometry. We have studied their electronic and spatial structure and the characteristics of the interaction between atoms in the molecules.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have