List of works - Robert A. Evarestov

A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculations

scientific article published on 01 October 2008

Ab initio modeling of spin and charge ordering and lattice dynamics in CaFeO(3) crystals

scientific article published on 01 December 2008

Application of zone-folding approach to the first-principles estimation of thermodynamic properties of carbon and ZrS2 -based nanotubes.

scientific article published on 31 October 2015

Argentophillic interactions in argentum chalcogenides: First principles calculations and topological analysis of electron density

scientific article published on 06 December 2020

BaTiO3-based nanolayers and nanotubes: first-principles calculations.

scientific article published on 20 September 2012

Confinement effects for ionic carriers in SrTiO3 ultrathin films: first-principles calculations of oxygen vacancies

scientific article published on 29 November 2010

DFT plane wave calculations of the atomic and electronic structure of LaMnO3 (001) surface

scientific article published on 01 June 2005

First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S2 -Based Nanotubes

scientific article published on 11 December 2019

First-principles calculations of oxygen interstitials in corundum: a site symmetry approach.

scientific article published on 11 September 2017

First-principles calculations on Fe-Pt nanoclusters of various morphologies.

scientific article

First-principles calculations on the four phases of BaTiO3

scientific article published on 27 February 2012

First-principles calculations on thermodynamic properties of BaTiO3 rhombohedral phase.

scientific article published on 19 April 2012

First-principles comparative study of perfect and defective CsPbX3 (X = Br, I) crystals

scientific article published on 01 February 2020

First-principles modeling of hafnia-based nanotubes

scientific article published on 15 June 2017

Infrared and Raman active vibrational modes in MoS -based nanotubes: Symmetry analysis and first-principles calculations

article

Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]+ complexes based on the cyclometalating and diimine ligands of this type

scientific article published on 06 May 2020

Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations

scientific article published on 24 February 2020

Phonon spectra, electronic, and thermodynamic properties of WS2 nanotubes.

scientific article published on 21 August 2017

Quantum Chemical Study of Water Adsorption on the Surfaces of SrTiO3 Nanotubes

scientific article published on 25 May 2015

Quantum mechanics–molecular dynamics approach to the interpretation of x-ray absorption spectra ⬇️

scientific article published on January 12, 2009

Quasi-two-dimensional behavior of phonon subsystems and the superconductivity mechanism in perovskitelike compounds

scientific article published on 01 April 1994

Rod groups and their settings as special geometric realisations of line groups.

scientific article published on 20 July 2012

Structure reconstruction of TiO2-based multi-wall nanotubes: first-principles calculations

scientific article published on 01 July 2014

Symmetry classification of electron and phonon states in TiO2 -based nanowires and nanotubes

scientific article published on 03 March 2015

Temperature dependence of strain energy and thermodynamic properties of V2 O5 -based single-walled nanotubes: Zone-folding approach.

scientific article published on 17 March 2016

Theoretical Study of α-V2O5 -Based Double-Wall Nanotubes

scientific article published on 13 August 2015

TiS2 and ZrS2 single- and double-wall nanotubes: first-principles study.