Showing results (1-10 of 10) with videos related to
Sort By:
Pageof 1
Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 6, 2011
Quantum mechanics-molecular dynamics approach to the interpretation of x-ray absorption spectraA Kuzmin, R A EvarestovJournal of Computational Chemistry|April 22, 2009
All-electron LCAO calculations of the LiF crystal phonon spectrum: Influence of the basis set, the exchange-correlation functional, and the supercell sizeR A Evarestov, M V LosevActa Crystallographica. Section A, Foundations of Crystallography|August 16, 2012
Rod groups and their settings as special geometric realisations of line groupsR A Evarestov, A I PaninPhysical Chemistry Chemical Physics : PCCP|June 13, 2014
Structure reconstruction of TiO2-based multi-wall nanotubes: first-principles calculationsA V Bandura, R A Evarestov, S I LukyanovThe Journal of Chemical Physics|December 10, 2008
Ab initio modeling of spin and charge ordering and lattice dynamics in CaFeO(3) crystalsV E Alexandrov, E A Kotomin, J Maier, et al.Physical Chemistry Chemical Physics : PCCP|September 30, 2009
DFT plane wave calculations of the atomic and electronic structure of LaMnO3 (001) surfaceE A Kotomin, R A Evarestov, Yu A Mastrikov, et al.Physical Chemistry Chemical Physics : PCCP|December 1, 2010
Confinement effects for ionic carriers in SrTiO3 ultrathin films: first-principles calculations of oxygen vacanciesE A Kotomin, V Alexandrov, D Gryaznov, et al.Physical Chemistry Chemical Physics : PCCP|February 5, 2020
First-principles comparative study of perfect and defective CsPbX3 (X = Br, I) crystalsR A Evarestov, E A Kotomin, A Senocrate, et al.Physical Chemistry Chemical Physics : PCCP|March 11, 2017
Use of site symmetry in supercell models of defective crystals: polarons in CeO2R A Evarestov, D Gryaznov, M Arrigoni, et al.Journal of Computational Chemistry|May 23, 2008
A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculationsR A Evarestov, A V Bandura, M V Losev, et al.Pageof 1