Robert A. Evarestov
Orcid: 0000-0001-7423-6903
According to our database1,
Robert A. Evarestov
authored at least 16 papers
between 2008 and 2021.
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Bibliography
2021
Argentophillic interactions in argentum chalcogenides: First principles calculations and topological analysis of electron density.
J. Comput. Chem., 2021
2020
Topological analysis of chemical bonding in the layered FePSe3 upon pressure-induced phase transitions.
J. Comput. Chem., 2020
Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations.
J. Comput. Chem., 2020
First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S2-Based Nanotubes.
J. Comput. Chem., 2020
2018
Infrared and Raman active vibrational modes in MoS2-based nanotubes: Symmetry analysis and first-principles calculations.
J. Comput. Chem., 2018
2017
Phonon spectra, electronic, and thermodynamic properties of WS<sub>2</sub> nanotubes.
J. Comput. Chem., 2017
2016
Temperature dependence of strain energy and thermodynamic properties of V<sub>2</sub>O<sub>5</sub>-based single-walled nanotubes: Zone-folding approach.
J. Comput. Chem., 2016
Application of zone-folding approach to the first-principles estimation of thermodynamic properties of carbon and ZrS<sub>2</sub>-based nanotubes.
J. Comput. Chem., 2016
2015
Symmetry classification of electron and phonon states in TiO<sub>2</sub>-based nanowires and nanotubes.
J. Comput. Chem., 2015
2014
TiS<sub>2</sub> and ZrS<sub>2</sub> single- and double-wall nanotubes: First-principles study.
J. Comput. Chem., 2014
2013
J. Comput. Chem., 2013
2012
J. Comput. Chem., 2012
First-principles calculations on thermodynamic properties of BaTiO3 rhombohedral phase.
J. Comput. Chem., 2012
2009
All-electron LCAO calculations of the LiF crystal phonon spectrum: Influence of the basis set, the exchange-correlation functional, and the supercell size.
J. Comput. Chem., 2009
2008
A first-principles DFT study of UN bulk and (001) surface: Comparative LCAO and PW calculations.
J. Comput. Chem., 2008