Alexey M. Shor

The hydration of the uranyl dication: Incorporation of solvent effects in parallel density functional calculations with the program P<scp>ARA</scp>G<scp>AUSS</scp>

Monika S. K. Fuchs, Alexey M. Shor, Notker Rösch · International Journal of Quantum Chemistry · 2001 · 50 citations

Engineering, Cosmo Model, Computational Chemistry +18

Adsorption of Pd and Pt atoms on α-Al2O3(): density functional study of cluster models embedded in an elastic polarizable environment

Vladimir V. Rivanenkov, Alexey M. Shor, Konstantin M. Neyman et al. · Surface Science · 2003 · 40 citations

Materials Science, Cluster Science, Density Functional Study +9

Layered structure of the near-surface region of oxidized chalcopyrite (CuFeS₂): hard X-ray photoelectron spectroscopy, X-ray absorption spectroscopy and DFT+U studies

Yu. L. Mikhlin, Alexander Romanchenko, Yevgeny Tomashevich et al. · Physical Chemistry Chemical Physics · 2017 · 35 citations

Pd3 and Pt3 species on the α-Al2O3(0001) surface: cluster models embedded in an elastic polarizable environment

Vladimir V. Rivanenkov, Alexey M. Shor, Konstantin M. Neyman et al. · Chemical Physics Letters · 2003 · 32 citations

Materials Science, Cluster Models, Cluster Science +9

Density functional embedded cluster calculations on Lewis acid centers of the α‐Al₂O₃(0001) surface: Adsorption of a CO probe

Vladimir V. Rivanenkov, Alexey M. Shor, Konstantin M. Neyman et al. · International Journal of Quantum Chemistry · 2002 · 21 citations

Engineering, Frequency Shift, Computational Chemistry +16