| Elastic polarizable environment cluster embedding approach for covalent oxides and zeolites based on a density functional method VA Nasluzov, EA Ivanova, AM Shor, GN Vayssilov, U Birkenheuer, ... The Journal of Physical Chemistry B 107 (10), 2228-2241, 2003 | 87 | 2003 |
| Reverse Hydrogen Spillover onto Zeolite-Supported Metal Clusters: An Embedded Cluster Density Functional Study of Models M6 (M = Rh, Ir, or Au) EA Ivanova Shor, VA Nasluzov, AM Shor, GN Vayssilov, N Roesch The Journal of Physical Chemistry C 111 (33), 12340-12351, 2007 | 73 | 2007 |
| Comparison of all sites for Ti substitution in zeolite TS-1 by an accurate embedded-cluster method RC Deka, VA Nasluzov, EA Ivanova Shor, AM Shor, GN Vayssilov, ... The Journal of Physical Chemistry B 109 (51), 24304-24310, 2005 | 56 | 2005 |
| Size-dependence of the adsorption energy of CO on Pt nanoparticles: Tracing two intersecting trends by DFT calculations SS Laletina, M Mamatkulov, EA Shor, VV Kaichev, A Genest, IV Yudanov, ... The Journal of Physical Chemistry C 121 (32), 17371-17377, 2017 | 51 | 2017 |
| Methanol carbonylation catalyzed by the anion of the complex dicarbonyldiiodorhodium (I). A density functional study of the catalytic cycle EA Ivanova, P Gisdakis, VA Nasluzov, AI Rubailo, N Rösch Organometallics 20 (6), 1161-1174, 2001 | 44 | 2001 |
| Effects of the aluminum content of a zeolite framework: A DFT/MM hybrid approach based on cluster models embedded in an elastic polarizable environment EA Ivanova Shor, AM Shor, VA Nasluzov, GN Vayssilov, N Rösch Journal of Chemical Theory and Computation 1 (3), 459-471, 2005 | 39 | 2005 |
| Modeling metal adsorption at amorphous silica: Gold atoms and dimers as example KH Lim, O Zakharieva, AM Shor, N Rösch Chemical Physics Letters 444 (4-6), 280-286, 2007 | 29 | 2007 |
| First hybrid embedding scheme for polar covalent materials using an extended border region to minimize boundary effects on the quantum region AM Shor, EAI Shor, VA Nasluzov, GN Vayssilov, N Rösch Journal of Chemical Theory and Computation 3 (6), 2290-2300, 2007 | 26 | 2007 |
| Effect of the size of the quantum region in a hybrid embedded-cluster scheme for zeolite systems AM Shor, EAI Shor, S Laletina, VA Nasluzov, GN Vayssilov, N Rösch Chemical Physics 363 (1-3), 33-41, 2009 | 24 | 2009 |
| Reverse hydrogen spillover on and hydrogenation of supported metal clusters: insights from computational model studies GN Vayssilov, GP Petrova, EAI Shor, VA Nasluzov, AM Shor, PS Petkov, ... Physical Chemistry Chemical Physics 14 (17), 5879-5890, 2012 | 23 | 2012 |
| Interaction of silica-supported small silver clusters with molecular oxygen. A computational study AM Shor, SS Laletina, EAI Shor, VA Nasluzov, VI Bukhtiyarov, N Rösch Surface science 630, 265-272, 2014 | 19 | 2014 |
| Correlation between structure and spectral characteristics of rhodium (I) chelate dicarbonyl complexes and their electron EA Shor, AM Shor, VA Nasluzov, AI Rubaylo Journal of Structural Chemistry 46, 220-229, 2005 | 18 | 2005 |
| What changes on the inverse catalyst? Insights from CO oxidation on Au-supported ceria nanoparticles using Ab initio molecular dynamics Y Li, S Li, M Bäumer, EA Ivanova-Shor, LV Moskaleva ACS Catalysis 10 (5), 3164-3174, 2020 | 17 | 2020 |
| Small silver clusters at paramagnetic defects of silica surfaces: A density functional embedded-cluster study AM Shor, EA Ivanova-Shor, SS Laletina, VA Nasluzov, N Rösch Surface science 604 (19-20), 1705-1712, 2010 | 12 | 2010 |
| Vinylidene carbonylation at a manganese–iron complex: A density functional study of mechanism EAI Shor, VA Nasluzov, AM Shor, AB Antonova, N Rösch Journal of Organometallic Chemistry 696 (22), 3445-3453, 2011 | 11 | 2011 |
| Silver atom, trimer and tetramer species supported on a ceria nanoparticle: A density functional study VA Nasluzov, EA Ivanova-Shor, AM Shor, KM Neyman Surface science 681, 38-46, 2019 | 10 | 2019 |
| Size and structure effects on platinum nanocatalysts: theoretical insights from methanol dehydrogenation SS Laletina, M Mamatkulov, AM Shor, EA Shor, VV Kaichev, IV Yudanov Nanoscale 14 (11), 4145-4155, 2022 | 7 | 2022 |
| Theoretical study of O2 interaction with subnanometer-sized Ag clusters supported on defective SiO2 surface AM Shor, SS Laletina, EA Ivanova-Shor, VA Nasluzov Computational and Theoretical Chemistry 1144, 56-65, 2018 | 5 | 2018 |
| Theoretical Study of the Methanol Dehydrogenation on Platinum Nanocluster SS Laletina, EA Shor, MI Mamatkulov, IV Yudanov, VV Kaichev, ... Journal of Siberian Federal University. Chemistry 9 (4), 430, 2016 | 5 | 2016 |
| Small gold species at hydroxylated alumina surfaces. A computational study using embedded-cluster models of α-Al2O3 (0001) VA Nasluzov, TV Shulimovich, EA Ivanova-Shor, AM Shor, N Rösch Chemical Physics Letters 494 (4-6), 243-248, 2010 | 5 | 2010 |
