| 1 |
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 |
| 2 |
Modeling adsorption of the uranyl dication on the hydroxylated (alpha-Al2O3(0001) surface in an aqueous medium. Density functional study
Moskaleva LV, Nasluzov VA, Rosch N
Langmuir, 22(5), 2141, 2006 |
| 3 |
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 |
| 4 |
Single d-metal atoms on F-s and F-s(+) defects of MgO(001): A theoretical study across the periodic table
Neyman KM, Inntam C, Matveev AV, Nasluzov VA, Rosch N
Journal of the American Chemical Society, 127(33), 11652, 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 |
| 7 |
Calculation of electronic g-tensors using a relativistic density functional Douglas-Kroll method
Neyman KM, Ganyushin DI, Matveev AV, Nasluzov VA
Journal of Physical Chemistry A, 106(19), 5022, 2002 |
| 8 |
Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO(001)
Nasluzov VA, Rivanenkov VV, Gordienko AB, Neyman KM, Birkenheuer U, Rosch N
Journal of Chemical Physics, 115(17), 8157, 2001 |
| 9 |
Steric effects on dinitrogen cleavage by three-coordinate molybdenum(III) complexes: A molecular mechanics study
Hahn J, Landis CR, Nasluzov VA, Neyman KM, Rosch N
Inorganic Chemistry, 36(18), 3947, 1997 |
| 10 |
Prediction of Alternative Structures of the Molybdenum Site in the Xanthine Oxidase-Related Aldehyde Oxide Reductase
Voityuk AA, Albert K, Kostlmeier S, Nasluzov VA, Neyman KM, Hof P, Huber R, Romao MJ, Rosch N
Journal of the American Chemical Society, 119(13), 3159, 1997 |
