• 2671 Citations
  • 27 h-Index
1974 …2020

Research output per year

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Research Output

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9 Citations (Scopus)
6 Citations (Scopus)
28 Citations (Scopus)
66 Citations (Scopus)

Adsorption of water on the TiO 2 (rutile) (110) surface: A comparison of periodic and embedded cluster calculations

Bandura, A. V., Sykes, D. G., Shapovalov, V., Troung, T. N., Kubicki, J. D. & Evarestov, R. A., 10 Jun 2004, In : Journal of Physical Chemistry B. 108, 23, p. 7844-7853 10 p.

Research output

118 Citations (Scopus)

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

Evarestov, R. A., Bandura, A. V., Losev, M. V., Kotomin, E. A., Zhukovskii, Y. F. & Bocharov, D., 1 Oct 2008, In : Journal of Computational Chemistry. 29, 13, p. 2079-2087 9 p.

Research output

33 Citations (Scopus)

A New Hypothesis for the Dissolution Mechanism of Silicates

Kubicki, J. D., Sofo, J. O., Skelton, A. A. & Bandura, A. V., 2012, In : Journal of Physical Chemistry C. 116, 33, p. 17479–17491

Research output

35 Citations (Scopus)
1 Citation (Scopus)
5 Citations (Scopus)
1 Citation (Scopus)
8 Citations (Scopus)
13 Citations (Scopus)

Comment on “Structure and dynamics of liquid water on rutile TiO2 (110)”

Wesolowski, D. J., Sofo, J. O., Bandura, A. V., Zhang, Z., Mamontov, E., Predota, M., Kumar, N., Kubicki, J., Kent, P. R. C., Vlcek, L., Machesky, M. L., Fenter, P., Cummings, P. T., Anovitz, L. M., Skelton, A. A. & Rosenqvist, J., 2012, In : Physical Review B - Condensed Matter and Materials Physics. 85, p. 167401

Research output

Comparison of Cation Adsorption by Isostructural Rutile and Cassiterite.

Machesky, M., Wesolowski, D., Rosenqvist, J., P edota, M., Vlcek, L., Ridley, M., Kohli, V., Zhang, Z., Fenter, P., Cummings, P., Lvov, S., Fedkin, M., Rodriguez-Santiago, V., Kubicki, J. & Bandura, A., 2011, In : Langmuir. 27, 8, p. 4585-4593

Research output

18 Citations (Scopus)
6 Citations (Scopus)
71 Citations (Scopus)

COMPUTER SIMULATION OF INTERACTION BETWEEN CELLOBIOSE AND ORGANIC SOLVENTS

Novoselov, N. P., Bandura, A. V., Tret'yak, V. M., Sashina, E. S. & Khanin, V. A., 1998, In : Russian Journal of Physical Chemistry A. 72, 7, p. 1078-1083

Research output

Computer simulation of the mechanism of interaction between cellobiose and organic solvents

Novoselov, N. P., Bandura, A. V., Tret'yak, V. M., Sashina, E. S. & Khanin, V. A., 1 Dec 1998, In : Zhurnal Fizicheskoi Khimii. 72, 7, p. 1207-1212 6 p.

Research output

7 Citations (Scopus)
37 Citations (Scopus)
171 Citations (Scopus)

DFT LCAO and plane wave calculations of SrZrO3

Evarestov, R. A., Bandura, A. V., Alexandrov, V. E. & Kotomin, E. A., 1 Feb 2005, In : Physica Status Solidi (B) Basic Research. 242, 2

Research output

27 Citations (Scopus)

Electric double layer at the rutile (110) surface. 1. Structure of surfaces and interfacial water from molecular dynamics by use of ab initio potentials

Předota, M., Bandura, A. V., Cummings, P. T., Kubicki, J. D., Wesolowski, D. J., Chialvo, A. A. & Machesky, M. L., 12 Aug 2004, In : Journal of Physical Chemistry B. 108, 32, p. 12049-12060 12 p.

Research output

237 Citations (Scopus)
13 Citations (Scopus)
1 Citation (Scopus)

Faster Proton Transfer Dynamics of Water on SnO2 Compared to TiO2

Kumar, N., Kent, P. R. C., Bandura, A. V., Kubicki, J., Wesolowski, D. J., Cole, D. R. & Sofo, J. O., 2011, In : Journal of Chemical Physics. 134, 4, p. 044706

Research output

28 Citations (Scopus)
2 Citations (Scopus)
3 Citations (Scopus)

First principles calculations of oxygen adsorption on the UN(0 0 1) surface

Zhukovskii, Y. F., Bocharov, D., Kotomin, E. A., Evarestov, R. A. & Bandura, A. V., 1 Jan 2009, In : Surface Science. 603, 1, p. 50-53 4 p.

Research output

16 Citations (Scopus)
2 Citations (Scopus)
7 Citations (Scopus)
13 Citations (Scopus)
6 Citations (Scopus)
64 Citations (Scopus)

Generation of random rotations of polyatomic molecules using the gibbs vector

Bandura, A. V., Vinogradova, G. B. & Novoselov, N. P., 1 Jan 1987, In : Journal of Structural Chemistry. 28, 1, p. 134-135 2 p.

Research output

High Temperature Microelectrophoresis Studies of the Rutile/Aqueous Solution Interface

Fedkin, M. V., Zhou, X. Y., Kubicki, J. D., Bandura, A. V., Lvov, S. N., Machesky, M. L. & Wesolowski, D. J., 2003, In : Langmuir. 19, 9, p. 3797-3804

Research output

52 Citations (Scopus)
14 Citations (Scopus)