THE DESIGN OF PARAMETERS OF THE NKR SPECTRES OF SOME HETEROCYCLIC MOLECULES BY THE KHARTRI-FOK-RUTAN'S METHOD

Abstract

The obtained results: the theoretical evaluation of the parameters of the NKR spectres of the investigated molecules, the justification of the design diagram for the evaluation of the electrical field gradient (EFG), the revealation of the electrical field gradient nature within the limits of approach of the localized molecular orbitals, the analysis of the main positions of Tauns and DailyAvailable from VNTIC / VNTIC - Scientific & Technical Information Centre of RussiaSIGLERURussian Federatio