Robert Evarestov
机构: St Petersburg State University
每年引用次数
引用次数
引用: 8,639
H-指数: 43
I10-指数 : 176
出版物: 448
Quantum chemical calculation of crystalline model of biomembrane
R. A. Evarestov , V. E. Stefanov , V. A. Karasev , A. V. Bandura
International Journal of Quantum Chemistry 96 ( 2) 106 -115
2004
Hartree–Fock calculations of electronic structure of (110)-surface of rutile TiO2: Comparison of single (2D) and periodic (3D) slab models
R. A. Evarestov , A. V. Bandura
International Journal of Quantum Chemistry 96 ( 3) 282 -291
15
2004
Wannier functions and chemical bonding in crystals with the perovskite‐like structure: SrTiO3, BaTiO3, PbTi3, and LaMnO3
D. E. Usvyat , R. A. Evarestov , V. P. Smirnov
International Journal of Quantum Chemistry 100 ( 4) 352 -359
13
2004
HF and DFT calculations of MgO surface energy and electrostatic potential using two‐ and three‐periodic models
R. A. Evarestov , A. V. Bandura
International Journal of Quantum Chemistry 100 ( 4) 452 -459
22
2004
Wannier functions and chemical bonding in a slab model: MgO (001) and TiO2 (110) surfaces
R. A. Evarestov , V. P. Smirnov , D. E. Usvyat
International Journal of Quantum Chemistry 104 ( 2) 102 -109
1
2005
Local characteristics of the electronic structure of MgO: LCAO and plane‐wave calculations
I. I. Tupitsyn , D. E. Usvyat , R. A. Evarestov , V. P. Smirnov
International Journal of Quantum Chemistry 104 ( 2) 110 -113
3
2005
DFT study of a singleF center in cubic SrTiO3 perovskite
R. A. Evarestov , E. A. Kotomin , Yu. F. Zhukovskii
International Journal of Quantum Chemistry 106 ( 10) 2173 -2183
39
2006
Ab initio calculations and analysis of chemical bonding in SrTiO3 and SrZrO3 cubic crystals
R. A. Evarestov , I. I. Tupitsyn , A. V. Bandura , V. E. Alexandrov
International Journal of Quantum Chemistry 106 ( 10) 2191 -2200
10
2006
Ab initio modeling of spin and charge ordering and lattice dynamics in CaFeO3 crystals
V. E. Alexandrov , E. A. Kotomin , J. Maier , R. A. Evarestov
Journal of Chemical Physics 129 ( 21) 214704 -214704
5
2008
Use of site symmetry in supercell models of defective crystals: polarons in CeO2
R. A. Evarestov , D. Gryaznov , M. Arrigoni , E. A. Kotomin
Physical Chemistry Chemical Physics 19 ( 12) 8340 -8348
9
2017
LCAO calculation of neutral defects in GaN
A. Gulans , R. A. Evarestov , I. Tale , C.C. Yang
Physica Status Solidi (c) 2 ( 7) 2525 -2528
2005
Connection between slab and cluster models for crystalline surfaces
R. A. Evarestov , Th. Bredow , K. Jug
Physics of the Solid State 43 ( 9) 1774 -1782
30
2001
New Force Field for Simulating Multi-Walled Tubes Based on MoS 2
A. V. Bandura , S. I. Lukyanov , R. A. Evarestov
Russian Journal of General Chemistry 88 ( 12) 2695 -2697
1
2018
Structure reconstruction of TiO2-based multi-wall nanotubes: first-principles calculations
A. V. Bandura , R. A. Evarestov , S. I. Lukyanov
Physical Chemistry Chemical Physics 16 ( 28) 14781 -14791
16
2014
A first-principles DFT study of UN bulk and (001) surface: Comparative LCAO and PW calculations
R. A. Evarestov , A. V. Bandura , M. V. Losev , E. A. Kotomin
Journal of Computational Chemistry 29 ( 13) 2079 -2087
37
2008
All‐electron LCAO calculations of the LiF crystal phonon spectrum: Influence of the basis set, the exchange‐correlation functional, and the supercell size
R. A. Evarestov , M. V. Losev
Journal of Computational Chemistry 30 ( 16) 2645 -2655
20
2009
A point group approach to selection rules in crystals
V. P. Smirnov , R. A. Evarestov , P. Tronc
Physics of the Solid State 45 ( 8) 1440 -1450
2003
Symmetry and Stability of the Rutile-Based TiO2 Nanowires: Models and Comparative LCAO-Plane Wave DFT Calculations
Yu. F. Zhukovskii , R. A. Evarestov , D. B. Migas
Journal of Physical Chemistry C 116 ( 24) 13395 -13402
19
2012
Comparative density-functional LCAO and plane-wave calculations of LaMnO3 surfaces
R. A. Evarestov , E. A. Kotomin , Yu. A. Mastrikov , D. Gryaznov
Physical Review B 72 ( 21) 214411
72
2005
Plain DFT and hybrid HF-DFT LCAO calculations of SnO2 (110) and (100) bare and hydroxylated surfaces
R. A. Evarestov , A. V. Bandura , E. V. Proskurov
physica status solidi (b) 243 ( 8) 1823 -1834
25
2006