| 1 |
Hydration Structure and Hydrolysis of U(IV) and Np(IV) Ions: A Comparative Density Functional Study Using a Modified Continuum Solvation Approach
Shor AM, Ivanova-Shor EA, Chiorescu I, Kruger S, Rosch N
Journal of Physical Chemistry A, 124(19), 3805, 2020 |
| 2 |
Small gold species at hydroxylated alumina surfaces. A computational study using embedded-cluster models of alpha-Al2O3(0001)
Nasluzov VA, Shulimovich TV, Ivanova-Shor EA, Shor AM, Rosch N
Chemical Physics Letters, 494(4-6), 243, 2010 |
| 3 |
Modeling metal adsorption at amorphous silica: Gold atoms and dimers as example
Lim KH, Zakharieva O, Shor AM, Rosch N
Chemical Physics Letters, 444(4-6), 280, 2007 |
| 4 |
Comparison of all sites for Ti substitution in zeolite TS-1 by an accurate embedded-cluster method
Deka RC, Nasluzov VA, Shor EAI, Shor AM, Vayssilov GN, Rosch N
Journal of Physical Chemistry B, 109(51), 24304, 2005 |
| 5 |
Pd-3 and Pt-3 species on the alpha-Al2O3(0001) surface: cluster models embedded in an elastic polarizable environment
Nasluzov VA, Rivanenkov VV, Shor AM, Neyman KM, Rosch N
Chemical Physics Letters, 374(5-6), 487, 2003 |
| 6 |
Elastic polarizable environment cluster embedding approach for covalent oxides and zeolites based on a density functional method
Nasluzov VA, Ivanova EA, Shor AM, Vayssilov GN, Birkenheuer U, Rosch N
Journal of Physical Chemistry B, 107(10), 2228, 2003 |
