48 citations · 252 across the 45 of their papers we have counts for
5 papers · 1 filter
Digital twins kinetics of virtual free-radical copolymerization of vinyl monomers with stable radicals. 1. Methyl methacrylate
Elena F. Sheka
The first experience of virtual free-radical polymerization of a set of vinyl monomers in the framework of the digital twins (DTs) concept (Polymers 2023, 15, 2999) is extended to…
Virtual spectrometer for radicals vibrations. 1. Polyacenes and fullerenes
Elena F. Sheka, V. A. Popova
A virtual vibrational spectrometer, based on efficient software exploring unrestricted Hartree-Fock approximation, has been proposed to perform computational spectroscopy of radica…
Spin-orbit concept of open-shell systems
Elena F. Sheka
The paper presents a first attempt to look at the peculiarities of open-shell systems from the viewpoint of spin-orbit coupling. Contrary to common opinion of a negligible role of…
When a covalent bond is broken?
Elena Sheka, Nadezhda Popova
The current contribution suggests the application of the effectively-unpaired-electron concept to describe stretching and breaking of chemical bonds quantitatively.
Synergistic Nanophotonics of Fullerene
E. F. Sheka
A deep similarity of photo-stimulated effects occurring in physical and biological objects involving fullerene forces to raise the question: what is meant under nanophotonics of fu…