Spin Chemical Physics of Graphene

Elena F. Sheka is an emeritus professor of the Theoretical Physics and Mechanics Department of the Peoples’ Friendship University of Russia. She has authored more than 340 papers and 4 monographs, is a member of the editorial board of Molecular Crystals and Liquid Crystals (Taylor & Francis Publishing), of the Journal of Nanoparticle Research (Springer Publishing), International Journal of Nanomaterials, Nanotechnology and Nanomedicine (Peertechz Publishing), national representative of the International Society of Theoretical Chemical Physics (ISTCP), a full member of the European Society of Computational Methods in Science and Engineering (ESCMSE), a member of the American Chemical Society (ACS) and of the Russian Nanotechnological Society (RNTS). Her fields of interest include excitonics of molecular crystals, phonon spectra of molecular crystals (inelastic neutron scattering, calculations), exciton-phonon interaction and vibronic spectra of molecular crystals, phase transformation in molecular solids with liquid crystal behavior (vibrational spectroscopy and neutron diffraction), vibrational spectroscopy of nanoparticles, quantum chemical simulations of nanoobjects toward computational nanotechnology, quantum fullerenics, and simulations of carbon nanotubes and graphene, theoretical chemical physics of graphene.

Open-Shell Molecules, Unrestricted Hartree-Fock Formalism and Spin-Orbit Coupling Theory. Stretching and Breaking of Chemical Bonds Leading to Open-Shell Character of Molecular Electronic Systems. Spin Roots of Dirac Material Graphene. Silicene and Other Heavy Tetrelenes. Spin Molecular Theory of Graphene Hydrogenation. Spin Molecular Theory of Graphene Oxidation. Technical Graphene (Reduced Graphene Oxide) and Its Natural Counterpart (Shungite Carbon). Parent and Reduced Graphene Oxides of Different Origin in Light of Neutron Scattering. Spin Mechanochemistry of Graphene. Static Deformation and Uniaxial Tension of Nanographene Molecule. Spin Mechanochemistry of Graphene. Uniaxial Tension of Nanographane. Spin Topochemistry of Spatially Extended sp2 Nnocarbons in General and Graphene in Particular. Photonics of Graphene Quantum Dots. Aposteriori Reflections.