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The Journal of Physical Chemistry. B|April 21, 2006
Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculationsA V Bandura, J O Sofo, J D Kubicki
Physical Chemistry Chemical Physics : PCCP|June 13, 2014
Structure reconstruction of TiO2-based multi-wall nanotubes: first-principles calculationsA V Bandura, R A Evarestov, S I Lukyanov
Journal of Computational Chemistry|May 23, 2008
A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculationsR A Evarestov, A V Bandura, M V Losev, et al.
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