Search results
- 1.0315871 - ÚFCH JH 2009 CZ eng A - Abstract
Šebera, Jakub - Samec, Zdeněk - Záliš, Stanislav
Quantum chemical modeling of ethylene epoxidation on Au and Pt clusters.
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Conference Book. Praha: Ústav fyzikální chemie J. Heyrovského, v.v.i, 2008. ---. ISBN N.
[Central European Symposium on Theoretical Chemistry 2008. 28.09.2008-01.10.2008, Hejnice]
Institutional research plan: CEZ:AV0Z40400503
Keywords : electrocatalysis * ethylene epoxidation * Au and Pt clusters
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0165957 - 2.0310740 - ÚFCH JH 2009 IT eng A - Abstract
Záliš, Stanislav - Blanco-Rodríguez, A. M. - Vlček, Antonín
Coupling between excited-state relaxation in Re(I) carbonyl-diimine complexes and medium dynamics.
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Book of Abstracts. Richmond: Organic Reactions Catalysis Society, 2008. s. 26-26. ISBN -.
[COST D65 - ESF DYNA Conference "Electronix Excited States in Condensed Phases". 18.07.2008-22.07.2008, Sicily]
R&D Projects: GA MŠMT 1P05OC068; GA AV ČR 1ET400400413
Institutional research plan: CEZ:AV0Z40400503
Keywords : carbonyl-diimine complexes * rhenium * medium dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0162514 - 3.0310739 - ÚFCH JH 2009 IT eng A - Abstract
Záliš, Stanislav - Šebera, Jakub - Vlček, Antonín
Modeling of singlet and triplet charge-transfer excited states in rhenium (I) and ruthenium (II) carbonyl-bipyridine complexes.
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Book of Abstracts. Richmond: Organic Reactions Catalysis Society, 2008. s. 86-86. ISBN -.
[COST D65 - ESF DYNA Conference "Electronix Excited States in Condensed Phases". 18.07.2008-22.07.2008, Sicily]
R&D Projects: GA MŠMT 1P05OC068; GA AV ČR 1ET400400413
Institutional research plan: CEZ:AV0Z40400503
Keywords : DFT study * rhenium * ruthenium
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0162513 - 4.0310299 - ÚFCH JH 2009 IL eng A - Abstract
Vlček, Antonín - Blanco-Rodríguez, A. M. - Záliš, Stanislav
Coupling between relaxation dynamics of MLCT excited states of Re(I) carbonyl-dimine complexes and the medium.
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Abstract Book. Santa Fe, 2008. s. 106-106.
[International Conference on Coordination Chemistry /38./. 20.07.2008-25.07.2008, Jerusalem]
R&D Projects: GA MŠMT 1P05OC068; GA AV ČR 1ET400400413
Institutional research plan: CEZ:AV0Z40400503
Keywords : relaxation dynamics * carbonyl-dimine complexes * MLCT
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0162211 - 5.0310298 - ÚFCH JH 2009 IL eng A - Abstract
Záliš, Stanislav - Šebera, Jakub - Vlček, Antonín
Quantum chemical modeling of lowest lying excited states in transition metal carbonyl-dimine complexes.
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Abstract Book. Santa Fe, 2008. s. 71-71.
[International Conference on Coordination Chemistry /38./. 20.07.2008-25.07.2008, Jerusalem]
R&D Projects: GA MŠMT 1P05OC068; GA AV ČR 1ET400400413
Institutional research plan: CEZ:AV0Z40400503
Keywords : quantum chemical modeling * carbonyl-dimine complexes * DFT calculation
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0162210 - 6.0107607 - UFCH-W 20040186 BG eng A - Abstract
Záliš, Stanislav - Kratochvílová, Irena
The Modelling of Interaction of Molecular Nanowires with Gold Clusters.
Humboldt Conference on Computational Chemistry. Book of Abstracts. Sofia, 2004. s. 79.
[Humboldt Conference on Computational Chemistry /2./. 01.09.2004-05.09.2004, Nessebar]
R&D Projects: GA AV ČR 1ET400400413
Keywords : computational chemistry * nanowires containing
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0014757 - 7.0086375 - ÚFCH JH 2008 NL eng A - Abstract
Záliš, Stanislav - Šebera, Jakub - Vlček, Antonín
Modeling of singlet and triplet charge-transfer excited states in rhenium(I)carbonyl-bipyridine complexes.
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Book of Abstracts. Amsterdam: The Electrochemical Society, 2007. s. 330.
[International Conference of the Application of Density Functional Theory in Physics and Chemistry /12./. 26.08.2007-30.08.2007, Amsterdam]
R&D Projects: GA MŠMT 1P05OC068; GA AV ČR 1ET400400413
Institutional research plan: CEZ:AV0Z40400503
Keywords : rhenium * carbonyl-bipyridine * DFT calculation
Subject RIV: CG - Electrochemistry
Permanent Link: http://hdl.handle.net/11104/0148658 - 8.0086372 - ÚFCH JH 2008 CZ eng A - Abstract
Šebera, Jakub - Záliš, Stanislav - Samec, Zdeněk
DFT Modeling of ethylene oxidation at metal clusters.
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Proceedings of Workshop. Praha: ČVUT Praha, 2007. s. 460-461.
[Worshop 2007. 19.02.2007-23.02.2007, Praha]
R&D Projects: GA AV ČR 1ET400400413
Institutional research plan: CEZ:AV0Z40400503
Keywords : DFT study * ethylene * clusters
Subject RIV: CG - Electrochemistry
Permanent Link: http://hdl.handle.net/11104/0148656 - 9.0023190 - ÚFCH JH 2006 CH eng A - Abstract
Záliš, Stanislav - Kratochvílová, Irena - Šebera, Jakub - Samec, Zdeněk
DFT study of the interaction of organic molecules with gold clusters.
[DFT studie interakce organických molekul s klastry zlata.]
Chimia. Roč. 59, 7-8 (2005), P127-P127. ISSN 0009-4293. E-ISSN 0009-4293.
[International Conference on the Applications of Density Functional Theory in Chemistry and Physics /11./. 11.9.-15.9. 2005, Geneva]
R&D Projects: GA AV ČR 1ET400400413
Institutional research plan: CEZ:AV0Z40400503
Keywords : elektrochemie * Ag klastry * interakce organických molekul
Subject RIV: CG - Electrochemistry
Permanent Link: http://hdl.handle.net/11104/0111855