Robert A. Evarestov

16 papers Journal 16

Year	Rank	Type	Title / Venue / Authors
2021	J	`jnl`	Argentophillic interactions in argentum chalcogenides: First principles calculations and topological analysis of electron density. J. Comput. Chem. Robert A. Evarestov, Andrej I. Panin, Yuri S. Tverjanovich
2020	J	`jnl`	First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S2-Based Nanotubes. J. Comput. Chem. Anton V. Domnin, Andrei V. Bandura, Robert A. Evarestov
2020	J	`jnl`	Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations. J. Comput. Chem. Robert A. Evarestov, Alexei Kuzmin
2020	J	`jnl`	Topological analysis of chemical bonding in the layered FePSe3 upon pressure-induced phase transitions. J. Comput. Chem. Robert A. Evarestov, Alexei Kuzmin
2018	J	`jnl`	Infrared and Raman active vibrational modes in MoS2-based nanotubes: Symmetry analysis and first-principles calculations. J. Comput. Chem. Robert A. Evarestov, Andrei V. Bandura
2017	J	`jnl`	First-principles modeling of hafnia-based nanotubes. J. Comput. Chem. Robert A. Evarestov, Andrei V. Bandura, Vitaly V. Porsev, Alexey V. Kovalenko
2017	J	`jnl`	Phonon spectra, electronic, and thermodynamic properties of WS J. Comput. Chem. Robert A. Evarestov, Andrei V. Bandura, Vitaly V. Porsev, Alexey V. Kovalenko
2016	J	`jnl`	Application of zone-folding approach to the first-principles estimation of thermodynamic properties of carbon and ZrS J. Comput. Chem. Andrei V. Bandura, Vitaly V. Porsev, Robert A. Evarestov
2016	J	`jnl`	Temperature dependence of strain energy and thermodynamic properties of V J. Comput. Chem. Vitaly V. Porsev, Andrei V. Bandura, Robert A. Evarestov
2015	J	`jnl`	Symmetry classification of electron and phonon states in TiO J. Comput. Chem. Robert A. Evarestov, Andrej I. Panin
2014	J	`jnl`	TiS J. Comput. Chem. Andrei V. Bandura, Robert A. Evarestov
2013	J	`jnl`	BaTiO J. Comput. Chem. Robert A. Evarestov, Andrei V. Bandura, Dmitrii D. Kuruch
2012	J	`jnl`	First-principles calculations on the four phases of BaTiO J. Comput. Chem. Robert A. Evarestov, Andrei V. Bandura
2012	J	`jnl`	First-principles calculations on thermodynamic properties of BaTiO3 rhombohedral phase. J. Comput. Chem. Andrei V. Bandura, Robert A. Evarestov
2009	J	`jnl`	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. Robert A. Evarestov, M. V. Losev
2008	J	`jnl`	A first-principles DFT study of UN bulk and (001) surface: Comparative LCAO and PW calculations. J. Comput. Chem. Robert A. Evarestov, Andrei V. Bandura, M. V. Losev, E. A. Kotomin, Yu. F. Zhukovskii, Dmitry Bocharov