Elena F. Sheka

TL;DR: In the case of sp2 amorphous carbons, formed by nanoscale graphene domains framed by heteroatom necklaces, inelastic neutron scattering and photoabsorption ensure s...

TL;DR: In this paper, enhanced linear optical effects were found for crystalline solutions of fullerenes in toluene and attributed to clustering the solute molecules themselves and solute and solvent molecules together.

TL;DR: In this paper, a virtual vibrational spectrometer HF-Spectrodyn, based on efficient computational codes and exploring both restricted and unrestricted Hartree-Fock approximations, is proposed to perform computati...

TL;DR: In this paper, the amplitude-weighted densities of the vibrational states for a few models of the water molecule depositions at the surface are obtained in good agreement with the experimental inelastic neutron scattering spectra.

TL;DR: In this paper, a quantum analysis of donor-acceptor properties of a C60 + dimethylenemethylamine binary system is performed, and it is shown that the term of intermolecular interaction is two-well, because of which the optimization of the system structure at initial distances between the molecules of 0.21 nm or smaller leads to the formation of N-methylfullerenepyrrolidine C60.