3 papers
physics.chem-ph2019
A local perspective on conjugation of double bonds in acyclic polyenes
Viktorija Gineityte
The study is devoted to elaboration of an alternative image of conjugation in acyclic polyenes as a weak and essentially local delocalization of initially-localized pairs of electr…
physics.chem-ph2018
Perturbational non-canonical theory of molecular orbitals and its applications
Viktorija Gineityte
The article contains a summary of fundamentals of the perturbational non- canonical molecular orbital (PNCMO) theory formerly developed by the author. In some respects, the PNCMO t…
physics.chem-ph2016
Supplementary Conjugated Circuits for Biphenylene and related hydrocarbons
Viktorija Gineityte
Individual Kekule valence structures of biphenylene and related hydrocarbons are comparatively studied in respect of their total pi-electron energies and thereby relative stabiliti…