Search Results - "Zalis, S" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

X‑ray Absorption Spectroscopy of Ground and Excited Rhenium–Carbonyl–Diimine Complexes: Evidence for a Two-Center Electron Transfer

X‑ray Absorption Spectroscopy of Ground and Excited Rhenium–Carbonyl–Diimine Complexes: Evidence for a Two-Center Electron Transfer

by El Nahhas, A, van der Veen, R. M, Penfold, T. J, Pham, V. T, Lima, F. A, Abela, R, Blanco-Rodriguez, A. M, Zális̆, S, Vlc̆ek, A, Tavernelli, I, Rothlisberger, U, Milne, C. J, Chergui, M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.01.2013)

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Journal Article

Electrochemical and density functional studies of the catalytic ethylene oxidation on nanostructured Au electrodes

Electrochemical and density functional studies of the catalytic ethylene oxidation on nanostructured Au electrodes

by Šebera, J., Hoffmannová, H., Krtil, P., Samec, Z., Záliš, S.
Published in Catalysis today (05.12.2010)

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Journal Article Conference Proceeding

The stable diiron(2.5) complex ion [(NC)(5)Fe(mu-tz)Fe(CN)5](5-), tz = 1,2,4,5-tetrazine, and its neighboring oxidation states

The stable diiron(2.5) complex ion [(NC)(5)Fe(mu-tz)Fe(CN)5](5-), tz = 1,2,4,5-tetrazine, and its neighboring oxidation states

by Glöckle, M, Kaim, W, Klein, A, Roduner, E, Hübner, G, Zalis, S, van Slageren, J, Renz, F, Gütlich, P
Published in Inorganic chemistry (07.05.2001)

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Journal Article

Influence of the Halogen Ligand on the Near-UV−Visible Spectrum of [Ru(X)(Me)(CO)2(α-diimine)] (X = Cl, I; α-Diimine = Me-DAB, iPr-DAB; DAB = 1,4-Diaza-1,3-butadiene): An ab Initio and TD-DFT Analysis

Influence of the Halogen Ligand on the Near-UV−Visible Spectrum of [Ru(X)(Me)(CO)2(α-diimine)] (X = Cl, I; α-Diimine = Me-DAB, iPr-DAB; DAB = 1,4-Diaza-1,3-butadiene): An ab Initio and TD-DFT Analysis

by Záliš, S, Ben Amor, N, Daniel, C
Published in Inorganic chemistry (13.12.2004)

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Parameters affecting the luminescence of nanodiamond particles: Quantum chemical calculations

Parameters affecting the luminescence of nanodiamond particles: Quantum chemical calculations

by Kovalenko, A., Petráková, V., Ashcheulov, P., Záliš, S., Nesládek, M., Kraus, I., Kratochvílová, I.
Published in Physica status solidi. A, Applications and materials science (01.09.2012)

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Charge carrier mobility in sulphonated and non-sulphonated Ni phthalocyanines: experiment and quantum chemical calculations

Charge carrier mobility in sulphonated and non-sulphonated Ni phthalocyanines: experiment and quantum chemical calculations

by Šebera, J., Nešpůrek, S., Kratochvílová, I., Záliš, S., Chaidogiannos, G., Glezos, N.
Published in The European physical journal. B, Condensed matter physics (01.12.2009)

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Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor

Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor

by Makrlík, E., Záliš, S., Vaňura, P., Sedláková, Z.
Published in Structural chemistry (01.12.2013)

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The fluorescence of variously terminated nanodiamond particles: Quantum chemical calculations

The fluorescence of variously terminated nanodiamond particles: Quantum chemical calculations

by Kratochvílová, I., Kovalenko, A., Taylor, A., Fendrych, F., Řezáčová, V., Vlček, J., Záliš, S., Šebera, J., Cígler, P., Ledvina, M., Nesládek, M.
Published in Physica status solidi. A, Applications and materials science (01.09.2010)

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Journal Article Conference Proceeding

New organic FET-like photoactive device, experiments and DFT modeling

New organic FET-like photoactive device, experiments and DFT modeling

by Kratochvılová, I., Nešprek, S., Šebera, J., Záliš, S., Pavelka, M., Wang, G., Sworakowski, J.
Published in The European physical journal. E, Soft matter and biological physics (01.03.2008)

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Journal Article

Theoretical analysis of low-lying charge transfer states in [Ru(X) (Me)(CO)2(Me-DAB)] (XCl, I; DAB1,4-diaza-1,3-butadiene) complexes by TDDFT and CASSCF/CASPT2 methods

Theoretical analysis of low-lying charge transfer states in [Ru(X) (Me)(CO)2(Me-DAB)] (XCl, I; DAB1,4-diaza-1,3-butadiene) complexes by TDDFT and CASSCF/CASPT2 methods

by Amor, N. Ben, Záliš, S., Daniel, C.
Published in International journal of quantum chemistry (2006)

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Journal Article

EPR characteristics of the [(NC)(5)M(NO)](3-) ions (M = Fe, Ru, Os). Experimental and DFT study establishing NO as a ligand

EPR characteristics of the [(NC)(5)M(NO)](3-) ions (M = Fe, Ru, Os). Experimental and DFT study establishing NO as a ligand

by Wanner, M, Scheiring, T, Kaim, W, Slep, L D, Baraldo, L M, Olabe, J A, Zális, S, Baerends, E J
Published in Inorganic chemistry (22.10.2001)

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Journal Article

UV−Visible Absorption Spectra of [Ru(E)(E‘)(CO)2(iPr-DAB)] (E = E‘ = SnPh3 or Cl; E = SnPh3 or Cl, E‘ = CH3; iPr-DAB = N,N‘-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations

UV−Visible Absorption Spectra of [Ru(E)(E‘)(CO)2(iPr-DAB)] (E = E‘ = SnPh3 or Cl; E = SnPh3 or Cl, E‘ = CH3; iPr-DAB = N,N‘-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations

by Turki, Mohamed, Daniel, Chantal, Záliš, Stanislav, Vlček, Antonín, van Slageren, Joris, Stufkens, Derk J
Published in Journal of the American Chemical Society (21.11.2001)

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Electron delocalization in vinyl ruthenium substituted cyclophanes: Assessment of the through-space and the through-bond pathways

Electron delocalization in vinyl ruthenium substituted cyclophanes: Assessment of the through-space and the through-bond pathways

by Mücke, Philipp, Zabel, Manfred, Edge, Ruth, Collison, David, Clément, Sébastien, Záliš, Stanislav, Winter, Rainer F.
Published in Journal of organometallic chemistry (01.10.2011)

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Computer Simulation of Electrochemical Processes at Irregular or Fractal Surfaces

Computer Simulation of Electrochemical Processes at Irregular or Fractal Surfaces

by Prospisil, L, Zalis, S, Fanelli, N
Published in Journal of chemical education (01.11.1995)

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Combined experimental and theoretical DFT study of molecular nanowires negative differential resistance and interaction with gold clusters

Combined experimental and theoretical DFT study of molecular nanowires negative differential resistance and interaction with gold clusters

by ZALIS, S, KRATOCHVILOVA, I, ZAMBOVA, A, MBINDYO, J, MALLOUK, T. E, MAYER, T. S
Published in The European physical journal. E, Soft matter and biological physics (01.10.2005)

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Journal Article

Comments on “Theoretical Studies of Ground and Excited Electronic States in a Series of Halide Rhenium(I) Bipyridine Complexes”

Comments on “Theoretical Studies of Ground and Excited Electronic States in a Series of Halide Rhenium(I) Bipyridine Complexes”

by Vlček, Antonín, Záliš, Stanislav
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.03.2005)

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Ligand-to-ligand charge transfer states and photochemical bond homolysis in metalcarbon bonded platinum complexes

Ligand-to-ligand charge transfer states and photochemical bond homolysis in metalcarbon bonded platinum complexes

by van Slageren, Joris, Klein, Axel, Záliš, Stanislav
Published in Coordination chemistry reviews (01.08.2002)

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Journal Article

Bridge dominated oxidation of a diruthenium 1,3-divinylphenylene complex

Bridge dominated oxidation of a diruthenium 1,3-divinylphenylene complex

by Maurer, Jörg, Winter, Rainer F, Sarkar, Biprajit, Fiedler, Jan, Zális, Stanislav
Published in Chemical communications (Cambridge, England) (07.09.2004)

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Journal Article

Ligand-to-Diimine/Metal-to-Diimine Charge-Transfer Excited States of [Re(NCS)(CO)3(α-diimine)] (α-diimine = 2,2‘-bipyridine, di-iPr-N,N-1,4-diazabutadiene). A Spectroscopic and Computational Study

Ligand-to-Diimine/Metal-to-Diimine Charge-Transfer Excited States of [Re(NCS)(CO)3(α-diimine)] (α-diimine = 2,2‘-bipyridine, di-iPr-N,N-1,4-diazabutadiene). A Spectroscopic and Computational Study

by Blanco Rodríguez, Ana Maria, Gabrielsson, Anders, Motevalli, Majid, Matousek, Pavel, Towrie, Michael, Šebera, Jakub, Záliš, Stanislav, Vlček, Antonín
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.06.2005)

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Journal Article

Excited States of Nitro-Polypyridine Metal Complexes and Their Ultrafast Decay. Time-Resolved IR Absorption, Spectroelectrochemistry, and TD-DFT Calculations of fac-[Re(Cl)(CO)3(5-Nitro-1,10-phenanthroline)]

Excited States of Nitro-Polypyridine Metal Complexes and Their Ultrafast Decay. Time-Resolved IR Absorption, Spectroelectrochemistry, and TD-DFT Calculations of fac-[Re(Cl)(CO)3(5-Nitro-1,10-phenanthroline)]

by GABRIELSSON, Anders, MATOUSEK, Pavel, TOWRIE, Michael, HARTL, František, ZáLIš, Stanislav, VLČEK, Antonín
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.07.2005)

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