Alexei M. Shor

Elastic Polarizable Environment Cluster Embedding Approach for Covalent Oxides and Zeolites Based on a Density Functional Method

E.A. Ivanova, Alexei M. Shor, Georgi N. Vayssilov et al. · The Journal of Physical Chemistry B · 2003 · 77 citations

Comparison of All Sites for Ti Substitution in Zeolite TS-1 by an Accurate Embedded-Cluster Method

Ramesh C. Deka, E.A. Ivanova, Alexei M. Shor et al. · The Journal of Physical Chemistry B · 2005 · 53 citations

Zeolite Ts-1, Engineering, Computational Chemistry +17

Effects of the Aluminum Content of a Zeolite Framework:  A DFT/MM Hybrid Approach Based on Cluster Models Embedded in an Elastic Polarizable Environment

E.A. Ivanova, Alexei M. Shor, Georgi N. Vayssilov et al. · Journal of Chemical Theory and Computation · 2005 · 37 citations

Engineering, Al Content, Material Simulation +20

Modeling metal adsorption at amorphous silica: Gold atoms and dimers as example

Kok Hwa Lim, Olga Zakharieva, Alexei M. Shor et al. · Chemical Physics Letters · 2007 · 23 citations

Amorphous Silica, Molecular Sieve, Gold Atoms +10

First Hybrid Embedding Scheme for Polar Covalent Materials Using an Extended Border Region To Minimize Boundary Effects on the Quantum Region

Alexei M. Shor, E.A. Ivanova, Georgi N. Vayssilov et al. · Journal of Chemical Theory and Computation · 2007 · 22 citations

Engineering, Extended Border Region, Low Dimensional Material +26