Search Results - "Klokishner, S"

Modeling of Electron Transfer in a Linear Trinuclear Fe–Co–Fe Complex: Magnetic and Polarizability Properties by Ostrovsky, S. M, Klokishner, S. I

“…A microscopic approach to the problem of charge transfer-induced spin transitions in a system of interacting trinuclear Fe–Co–Fe clusters, which takes into…”
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Modeling of Spin Crossover in Iron(II) Complexes with N4S2 Coordination by Klokishner, S, Reu, O

“…Typical FeII spin crossover (SCO) complexes exhibit {N6} coordination, which offers a stronger ligand field than the {N4S2} ligand set. Recently, the…”
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Electric Field Effects on Magnetic and Polarizability Properties of Clusters with Two-Electron Transfer by Roman, M, Klokishner, S

“…A possibility to manipulate the magnetic and polarizability characteristics of systems containing mobile electrons by means of external fields opens new…”
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Microscopic Approach to the Problem of Cooperative Spin Crossover in Polynuclear Cluster Compounds: Application to Tetranuclear Iron(II) Square Complexes by Ostrovsky, S, Palii, A, Decurtins, S, Liu, S.-X, Klokishner, S

“…A new microscopic approach to the problem of cooperative spin crossover in molecular crystals containing polynuclear complexes as structural units has been…”
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Experimental Study and Modeling of the UV–Vis and Infrared Spectra of the [VO(O2)Hheida]− Complex Dissolved in Water by Klokishner, S, Reu, O, Noack, J, Schlögl, R, Trunschke, A

“…Combined theoretical and experimental studies of the [VO­(O2)­Hheida]− anion dissolved in water that may serve as a functional model for vanadium…”
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Role of Orbital Degeneracy in the Single Molecule Magnet Behavior of a Mononuclear High-Spin Fe(II) Complex by Palii, A. V, Clemente-Juan, J. M, Coronado, E, Klokishner, S. I, Ostrovsky, S. M, Reu, O.S

“…To explain the single-molecule magnet behavior of the mononuclear complex [(tpaMes)Fe]− we have developed a model that takes into account the trigonal ligand…”
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A Model of Magnetic and Relaxation Properties of the Mononuclear [Pc 2Tb]−TBA+ Complex by Reu, O. S, Palii, A. V, Ostrovsky, S. M, Tregenna-Piggott, P. L. W, Klokishner, S. I

“…The present work is aimed at the elaboration of the model of magnetic properties and magnetic relaxation in the mononuclear [Pc 2Tb]−TBA+ complex that displays…”
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Apparent Absorption Spectra of Silica Supported Vanadium–Titanium Oxide Catalysts: Experimental Study and Modeling by Klokishner, S, Reu, O, Tzolova-Müller, G, Schlögl, R, Trunschke, A

“…The structures of different titania, vanadia, and vanadia–titania clusters located on the surface of mesoporous silica SBA-15 are optimized using density…”
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Effects of Intra- and Intercenter Interactions in Spin Crossover:  Application of the Density Matrix Method to the Nonequilibrium Low-Spin↔High-Spin Transitions Induced by Light by Klokishner, S, Linares, J

“…A microscopic model of nonequilibrium light-induced phase transitions in spin crossover systems based on the solution of the equations for the density operator…”
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Modeling the magnetic properties and Mössbauer spectra of multifunctional magnetic materials obtained by insertion of a spin-crossover Fe(III) complex into bimetallic oxalate-based ferromagnets by Ostrovsky, S M, Reu, O S, Palii, A V, Clemente-León, M, Coronado, E, Waerenborgh, J C, Klokishner, S I

“…In this article, we present a theoretical microscopic approach to describe the magnetic and spectroscopic behavior of multifunctional hybrid materials which…”
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Cobalt valence tautomeric compounds: molecular and solid state properties by Klokishner, S.

“…The paper is aimed at the elucidation of the role played by intra- and intermolecular interactions in magnetic properties of valence tautomeric compounds…”
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The structure of molybdenum-heteropoly acids under conditions of gas-phase selective oxidation catalysis: a multi-method in situ study by Jentoft, F.C., Klokishner, S., Kröhnert, J., Melsheimer, J., Ressler, T., Timpe, O., Wienold, J., Schlögl, R.

“…The present study focuses on the evidence about the existence of Keggin ions under various reactive conditions. The stability of the hydrated parent heteropoly…”
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Modeling of Spin Crossover in Iron(II) Complexes with N 4 S 2 Coordination by Klokishner, S., Reu, O.

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Concentration effects in the photoluminescence spectra of ZnAl2(1-x)Cr2xS4 by KLOKISHNER, S. I, KULIKOVA, O. V, KULYUK, L. L, NATEPROV, A. A, NATEPROV, A. N, OSTROVSKY, S. M, PALII, A. V, REU, O. S, SIMINEL, A. V

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A pseudo-Jahn–Teller model of the photochromic effect in sodium nitroprusside by Coronado, E., Klokishner, S., Reu, O., Tsukerblat, B.

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Influence of dehydration effects on the optical spectra of H4PVMo11O40 in the visible and near infrared range: intra- and intercenter optical transitions in the V-Mo cluster by Klokishner, S, Melsheimer, J, Ahmad, R, Jentoft, F C, Mestl, G, Schlögl, R

“…UV-Vis-NIR diffuse reflectance spectra of heteropoly acids of the type of H4PVMo11O40.xH2O were recorded with improved spectroscopic equipment for different…”
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Source of magnetic anisotropy in quasi-two-dimensional XY {Cu sub(4)(tetrenH sub(5))W(CN) sub(8)] sub(4) times 7.2H sub(2)O)}n bilayer molecular magnet by Zaharko, O, Pregelj, M, Zorko, A, Podgajny, R, Gukasov, A, van Tol, J, Klokishner, S I, Ostrovsky, S, Delley, B

“…To identify the origin of the XY spin dimensionality in the bilayered system {CU sub(4)(tetrenH sub(5))[W(CN) sub(8)] sub(4) times 7.2H sub(2)O}n (WCuT) we use…”
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Jahn–Teller vibronic coupling in CdSe doped with Cr2+ ions by Klokishner, S.I., Tsukerblat, B.S., Reu, O.S., Palii, A.V., Ostrovsky, S.M.

“…In this article we report the study of the vibronic Jahn–Teller interaction in CdSe crystals doped with Cr2+ ions. The vibronic coupling constants are…”
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Spectrum of Elementary Excitations of Mixed-Valence Molecular Crystals by Klokishner, S. I.

“…The spectrum of elementary excitations of molecular crystals comprising mixed‐valence d1–d2 clusters has been investigated. Depending on the number of phase…”
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Vibronic dynamic problem of the valence tautomeric interconversion [low-spin Co(III)(N∧N)(sq)(cat)] ↔ [high-spin Co(II)(N∧N)(sq)2]. Magnetic properties and charge-transfer band by Klokishner, S.I., Reu, O.S.

“…For a single valence tautomeric complex the vibronic problem of pseudo-Jahn–Teller effect is solved. The vibronic (hybrid) wave-functions and energy levels are…”
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