V
Vladimir A. Nasluzov
Researcher at Russian Academy of Sciences
Publications - 56
Citations - 1160
Vladimir A. Nasluzov is an academic researcher from Russian Academy of Sciences. The author has contributed to research in topics: Adsorption & Cluster (physics). The author has an hindex of 19, co-authored 53 publications receiving 1073 citations. Previous affiliations of Vladimir A. Nasluzov include Technische Universität München & Siberian Federal University.
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Journal ArticleDOI
Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO(001)
Vladimir A. Nasluzov,Vladimir V. Rivanenkov,Alexey B. Gordienko,Konstantin M. Neyman,Uwe Birkenheuer,Notker Rösch +5 more
TL;DR: In this article, a selfconsistent hybrid quantum mechanical/molecular embedding approach is presented where the defect-induced distortions are treated variationally and the environment is allowed to react on perturbations of a reference configuration describing the regular surface.
Journal ArticleDOI
Adsorption of d-metal atoms on the regular MgO(001) surface: Density functional study of cluster models embedded in an elastic polarizable environment
Konstantin M. Neyman,Chan Inntam,Vladimir A. Nasluzov,Ruslan Nikolaevich Kosarev,Notker Rösch +4 more
TL;DR: In this paper, the structure and bonding of complexes formed by 17 different single transition metal atoms (Cu, Ag, Au; Ni, Pd, Pt; Co, Rh, Ir; Fe, Ru, Os; Mn, Re; Cr, Mo, W) with oxygen sites of the regular MgO(001) surface were studied computationally.
Journal ArticleDOI
Elastic Polarizable Environment Cluster Embedding Approach for Covalent Oxides and Zeolites Based on a Density Functional Method
Vladimir A. Nasluzov,Elena A. Ivanova,Alexei M. Shor,Georgi N. Vayssilov,Uwe Birkenheuer,§,‖ and,Notker Rösch +5 more
TL;DR: In this paper, a variational treatment of an energy expression that includes all degrees of freedom of both the QM region (cluster) and the MM regions (environment) is proposed.
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Calculation of Electronic g-Tensors Using a Relativistic Density Functional Douglas−Kroll Method
TL;DR: In this article, a density functional method was proposed to calculate the electronic g-tensor values of doublet-state systems with spin-orbit effects, where spin−orbit effects are taken into account self-consistently.
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Reverse Hydrogen Spillover onto Zeolite-Supported Metal Clusters: An Embedded Cluster Density Functional Study of Models M6 (M = Rh, Ir, or Au)
Elena A. Ivanova Shor,Vladimir A. Nasluzov,Aleksey M. Shor,and Georgi N. Vayssilov,Notker Rösch +4 more
TL;DR: Vayssilov et al. as mentioned in this paper used an accurate quantum mechanics/molecular mechanics (QM/MM) approach where a QM partition is embedded in an extended zeolite lattice (MM).