Andrei V. Bandura: search on Z-Library

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1

A semi-empirical molecular statistical thermodynamic model for calculating standard molar Gibbs energies of aqueous species above and below the critical point of water

Lvov, Serguei N., Hall, Derek M., Bandura, Andrei V., Gamwo, Isaac K.

Journal:

Journal of Molecular Liquids

Year:

2018

Language:

english

File:

PDF, 1.61 MB

english, 2018

2

The Ionization Constant of Water over Wide Ranges of Temperature and Density

Bandura, Andrei V.

Journal:

Journal of Physical and Chemical Reference Data

Year:

2006

Language:

english

File:

PDF, 208 KB

english, 2006

3

Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework

Machesky, Michael L., Předota, Milan, Wesolowski, David J., Vlcek, Lukas, Cummings, Peter T., Rosenqvist, Jörgen, Ridley, Moira K., Kubicki, James D., Bandura, Andrei V., Kumar, Nitin, Sofo, Jorge O

Journal:

Year:

2008

Language:

english

File:

PDF, 776 KB

english, 2008

4

Faster proton transfer dynamics of water on SnO2 compared to TiO2

Kumar, Nitin, Kent, Paul R. C., Bandura, Andrei V., Kubicki, James D., Wesolowski, David J., Cole, David R., Sofo, Jorge O.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 520 KB

english, 2011

5

Surface modelling on heavy atom crystalline compounds: HfO2 and UO2 fluorite structures

Robert Evarestov, Andrei Bandura, Eugeny Blokhin

Journal:

Acta Materialia

Year:

2009

Language:

english

File:

PDF, 600 KB

english, 2009

6

(110)”

Wesolowski, David J., Sofo, Jorge O., Bandura, Andrei V., Zhang, Zhan, Mamontov, Eugene, Předota, Milan, Kumar, Nitin, Kubicki, James D., Kent, Paul R. C., Vlcek, Lukas, Machesky, Michael L., Fenter,

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 126 KB

english, 2012

7

LCAO calculations of SrTiO 3 nanotubes

Evarestov, Robert, Bandura, Andrei

Journal:

IOP Conference Series Materials Science and Engineering

Year:

2011

Language:

english

File:

PDF, 888 KB

english, 2011

8

Nanolayered solid electrolyte (GeSe2)30(Sb2Se3)30(AgI)40/AgI: A new hypothesis for the conductivity mechanism in layered AgI

Tveryanovich, Yury S., Bandura, Andrei V., Fokina, Svetlana V., Borisov, Evgeny N., Evarestov, Robert A.

Journal:

Solid State Ionics

Year:

2016

Language:

english

File:

PDF, 1.22 MB

english, 2016

9

First‐Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S 2 ‐Based Nanotubes

Domnin, Anton V., Bandura, Andrei V., Evarestov, Robert A.

Journal:

Journal of Computational Chemistry

Year:

2019

File:

PDF, 3.63 MB

2019

10

Structure and stability of SnS2-based single- and multi-wall nanotubes

Bandura, Andrei V., Evarestov, Robert A.

Journal:

Surface Science

Year:

2015

Language:

english

File:

PDF, 1.69 MB

english, 2015

11

Ab initio modeling of wall structure and shape in perovskite-based nanotubes

Bandura, Andrei V., Kuruch, Dmitry D., Evarestov, Robert A.

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 2.77 MB

english, 2015

12

Simulation of Young’s moduli for hexagonal ZnO [0 0 0 1]-oriented nanowires: first principles and molecular mechanical calculations

Bandura, Andrei V, Evarestov, Robert A, Lukyanov, Sergey I, Piskunov, Sergei, Zhukovskii, Yuri F

Journal:

Materials Research Express

Year:

2017

Language:

english

File:

PDF, 2.29 MB

english, 2017

13

Symmetry and models of single-walled TiO2nanotubes with rectangular morphology

Robert A. Evarestov, Yuri F. Zhukovskii, Andrei V. Bandura, Sergei Piskunov

Journal:

Central European Journal of Physics

Year:

2011

Language:

english

File:

PDF, 1.52 MB

english, 2011

14

First-principles calculations on the four phases of BaTiO3

Robert A. Evarestov, Andrei V. Bandura

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 872 KB

english, 2012

15

Temperature dependence of thermodynamic properties of MoS2 monolayer and single-wall nanotubes: Application of the developed three-body force field

Bandura, Andrei V., Lukyanov, Sergey I., Evarestov, Robert A.

Journal:

Journal of Molecular Graphics and Modelling

Year:

2018

Language:

english

File:

PDF, 1.27 MB

english, 2018

16

Ab initio structure modeling of ZrO2 nanosheets and single-wall nanotubes

Bandura, Andrei V., Evarestov, Robert A.

Journal:

Computational Materials Science

Year:

2012

Language:

english

File:

PDF, 1.52 MB

english, 2012

17

First-principles calculations on thermodynamic properties of BaTiO3 rhombohedral phase

Andrei V. Bandura, Robert A. Evarestov

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.09 MB

english, 2012

18

Energetic stability and photocatalytic activity of SrTiO 3 nanowires: ab initio simulations

Bandura, Andrei V., Evarestov, Robert A., Zhukovskii, Yuri F.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.65 MB

english, 2015

19

Rb + Adsorption at the Quartz(101)–Aqueous Interface: Comparison of Resonant Anomalous X-ray Reflectivity with ab Initio Calculations

Bellucci, Francesco, Lee, Sang Soo, Kubicki, James D., Bandura, Andrei, Zhang, Zhan, Wesolowski, David J., Fenter, Paul

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.21 MB

english, 2015

20

A New Hypothesis for the Dissolution Mechanism of Silicates

Kubicki, James D., Sofo, Jorge O., Skelton, Adam A., Bandura, Andrei V.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 1.84 MB

english, 2012

21

High Temperature Microelectrophoresis Studies of the Rutile/Aqueous Solution Interface

Fedkin, Mark V., Zhou, Xiangyang Y., Kubicki, James D., Bandura, Andrei V., Lvov, Serguei N., Machesky, Michael L., Wesolowski, David J.

Journal:

Year:

2003

Language:

english

File:

PDF, 133 KB

english, 2003

22

First-principles calculations of single-walled nanotubes in sulfides MS 2 (M = Ti, Zr)

Evarestov, Robert A, Bandura, Andrei V

Journal:

Physica Scripta

Year:

2014

Language:

english

File:

PDF, 539 KB

english, 2014

23

First-principles Calculations of InS-based Nanotubes

Bandura, Andrei V., Kuruch, Dmitry D., Evarestov, Robert A.

Journal:

Israel Journal of Chemistry

Year:

2016

Language:

english

File:

PDF, 1.51 MB

english, 2016

24

Phonon spectra, electronic, and thermodynamic properties of WS 2 nanotubes

Evarestov, Robert A., Bandura, Andrei V., Porsev, Vitaly V., Kovalenko, Alexey V.

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 1.57 MB

english, 2017

25

BaTiO3-based nanolayers and nanotubes: First-principles calculations

Robert A. Evarestov, Andrei V. Bandura, Dmitrii D. Kuruch

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 791 KB

english, 2012

26

Water adsorption on α-V 2 O 5 surface and absorption in V 2 O 5 ∙ n H 2 O xerogel: DFT study of electronic structure

Porsev, Vitaly V., Bandura, Andrei V., Evarestov, Robert A.

Journal:

Surface Science

Year:

2017

Language:

english

File:

PDF, 971 KB

english, 2017

27

Multi-walled MoS2 nanotubes. First principles and molecular mechanics computer simulation

Bandura, Andrei V., Lukyanov, Sergey I., Kuruch, Dmitrii D., Evarestov, Robert A.

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2020

File:

PDF, 6.64 MB

2020

28

Hybrid Hartree–Fock-density functional theory study of V2O5 three phases: Comparison of bulk and layer stability, electron and phonon properties

Porsev, Vitaly V., Bandura, Andrei V., Evarestov, Robert A.

Journal:

Acta Materialia

Year:

2014

Language:

english

File:

PDF, 2.08 MB

english, 2014

29

TiS 2 and ZrS 2 single- and double-wall nanotubes: First-principles study

Bandura, Andrei V., Evarestov, Robert A.

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

30

Structure of hydrated Zn2+ at the rutile TiO2 (110)-aqueous solution interface: Comparison of X-ray standing wave, X-ray absorption spectroscopy, and density functional theory results

Zhan Zhang, Paul Fenter, Shelly D. Kelly, Jeffery G. Catalano, Andrei V. Bandura, James D. Kubicki, Jorge O. Sofo, David J. Wesolowski, Michael L. Machesky, Neil C. Sturchio, Michael J. Bedzyk

Journal:

Geochimica et Cosmochimica Acta

Year:

2006

Language:

english

File:

PDF, 1.35 MB

english, 2006

31

First-principles modeling of hafnia-based nanotubes

Evarestov, Robert A., Bandura, Andrei V., Porsev, Vitaly V., Kovalenko, Alexey V.

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 1.24 MB

english, 2017

32

Comparisons of Multilayer H 2 O Adsorption onto the (110) Surfaces of α-TiO 2 and SnO 2 as Calculated with Density Functional Theory

Bandura, Andrei V., Kubicki, James D., Sofo, Jorge O.

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1.88 MB

english, 2008

33

Young's modulus and Poisson's ratio for TiO 2 -based nanotubes and nanowires: modelling of temperature dependence

Lukyanov, Sergey I., Bandura, Andrei V., Evarestov, Robert A.

Journal:

Year:

2016

Language:

english

File:

PDF, 1.95 MB

english, 2016

34

Atom–atom force field for simulation of zirconia bulk, nanosheets and nanotubes

Bandura, Andrei V., Lukyanov, Sergey I., Evarestov, Robert A.

Journal:

Molecular Simulation

Year:

2017

Language:

english

File:

PDF, 2.00 MB

english, 2017

35

Infrared and Raman active vibrational modes in MoS 2 -based nanotubes: Symmetry analysis and first-principles calculations

Evarestov, Robert A., Bandura, Andrei V.

Journal:

Journal of Computational Chemistry

Year:

2018

Language:

english

File:

PDF, 1.09 MB

english, 2018

36

Temperature dependence of strain energy and thermodynamic properties of V 2 O 5 -based single-walled nanotubes: Zone-folding approach

Porsev, Vitaly V., Bandura, Andrei V., Evarestov, Robert A.

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 792 KB

english, 2016

37

Quantum Chemical Study of Water Adsorption on the Surfaces of SrTiO 3 Nanotubes

Bandura, Andrei V., Kuruch, Dmitry D., Evarestov, Robert A.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

38

Parameterization of dilute Ising model for iron-containing lanthanum gallate and aluminate solid solutions based on first-principles calculations

Evarestov, Robert A., Bandura, Andrei V., Sapova, Mariia D., Korolev, Dmitry A., Chezhina, Natalia V.

Journal:

Solid State Ionics

Year:

2020

File:

PDF, 863 KB

2020

39

Hydrogen Bonds and Vibrations of Water on (110) Rutile

Kumar, Nitin, Neogi, Sanghamitra, Kent, Paul R. C., Bandura, Andrei V., Kubicki, James D., Wesolowski, David J., Cole, David, Sofo, Jorge O.

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1.45 MB

english, 2009

40

Application of zone-folding approach to the first-principles estimation of thermodynamic properties of carbon and ZrS 2 -based nanotubes

Bandura, Andrei V., Porsev, Vitaly V., Evarestov, Robert A.

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 1.39 MB

english, 2016

41

Theoretical Study of α-V 2 O 5 -Based Double-Wall Nanotubes

Porsev, Vitaly V., Bandura, Andrei V., Evarestov, Robert A.

Journal:

Year:

2015

Language:

english

File:

PDF, 3.01 MB

english, 2015

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