Search results
- 1.0577648 - ÚFCH JH 2024 CZ eng A - Abstract
Záliš, Stanislav - Melčák, M. - Šebesta, F. - Heyda, Jan - Vlček, Antonín
Electron Transfer Through Solvated Metallo-Labeled Protein Chains Containing Tryptophan Units. QM/MM Molecular Dynamics Simulations.
Modeling Interactions in Biomolecules IX. Prague: Charles University, 2023. s. 36-36.
[Modeling Interactions in Biomolecules /9./. 10.09.2023-14.09.2023, Průhonice]
R&D Projects: GA ČR(CZ) GA21-05180S
Research Infrastructure: IT4Innovations - 90070
Institutional support: RVO:61388955
Keywords : electron transfer * molecular dynamics simulation * quantum mechanics
OECD category: Physical chemistry
Permanent Link: https://hdl.handle.net/11104/0346776File Download Size Commentary Version Access 0577648.pdf 0 102.8 KB Publisher’s postprint require - 2.0564258 - ÚFCH JH 2023 DE eng A - Abstract
Záliš, Stanislav - Heyda, Jan - Šebesta, F. - Melčák, M. - Gray, H. B. - Vlček, Antonín
Tryptophan Photooxidation by Re(Histidine)(CO)3 (phenanthroline)+ in a Solvated Protein Environment. Molecular Dynamics Simulations.
24th International Symposium on the Photochemistry and Photophysics of Coordination Compounds. Weinheim: ChemistryViews, 2022. s. 37-37. ISSN 2190-3735.
[International Symposium on the Photochemistry and Photophysics of Coordination Compounds /24./. 24.07.2022-29.07.2022, Vancouver]
R&D Projects: GA MŠMT(CZ) LTAUSA18026; GA ČR(CZ) GA21-05180S
Institutional support: RVO:61388955
Keywords : Tryptophan Photooxidation * Molecular Dynamics Simulations * rhenium
OECD category: Physical chemistry
Permanent Link: https://hdl.handle.net/11104/0335960File Download Size Commentary Version Access 0564257.pdf 0 1.1 MB Publisher’s postprint require - 3.0564257 - ÚFCH JH 2023 DE eng A - Abstract
Vlček, Antonín - Pižl, Martin - Hunter, B. M. - Záliš, Stanislav - Chergui, M. - Gray, H. B.
Excitation-Dependent Relaxation Cascades in Binuclear d8d8 Complexes.
24th International Symposium on the Photochemistry and Photophysics of Coordination Compounds. Weinheim: ChemistryViews, 2022. s. 33-33. ISSN 2190-3735.
[International Symposium on the Photochemistry and Photophysics of Coordination Compounds /24./. 24.07.2022-29.07.2022, Vancouver]
R&D Projects: GA MŠMT(CZ) LTAUSA18026
Institutional support: RVO:61388955
Keywords : binuclear complexes * isocyanide
OECD category: Physical chemistry
Permanent Link: https://hdl.handle.net/11104/0335958File Download Size Commentary Version Access 0564257.pdf 0 1.1 MB Publisher’s postprint require - 4.0507751 - ÚFCH JH 2020 HK eng A - Abstract
Pižl, Martin - Fusé, M. - Taylor, J. O. - Donaldson, P. - Hartl, F. - Barone, V. - Vlček, Antonín - Záliš, Stanislav
2D-IR Spectroelectrochemistry of Ru photosensitizers: Experimental and theoretical study.
ISPPCC 2019. Book of Abstracts. Hong Kong: City University of Hong Kong, 2019. P--83.
[International Symposium on the Photochemistry and Photophysics of Coordination Compounds /23./. 14.07.2019-19.07.2019, Hong Kong]
R&D Projects: GA ČR GA17-01137S
Institutional support: RVO:61388955
Keywords : 2D-IR spectroelectrochemistry * Ru photosensitizers
OECD category: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Permanent Link: http://hdl.handle.net/11104/0298724 - 5.0507750 - ÚFCH JH 2020 HK eng A - Abstract
Záliš, Stanislav - Heyda, J. - Winkler, J. R. - Gray, H. B. - Šebesta, F. - Vlček, Antonín
Electron transfer through metallolabeled protein containing tryptophan units: Theoretical molecular dynemics study.
ISPPCC 2019. Book of Abstracts. Hong Kong: City University of Hong Kong, 2019. OL-17.
[International Symposium on the Photochemistry and Photophysics of Coordination Compounds /23./. 14.07.2019-19.07.2019, Hong Kong]
R&D Projects: GA ČR GA17-01137S; GA MŠMT(CZ) LTAUSA18026
Institutional support: RVO:61388955
Keywords : electron transfer * tryptophan units * molecular dynamics
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0298722 - 6.0499062 - ÚFCH JH 2019 IT eng A - Abstract
Pižl, Martin - Fusé, M. - Tasinato, N. - Barone, V. - Vlček, Antonín - Záliš, Stanislav
Vibrational spectra of transition metal complexes: An anharmonic approach.
Photoinduced Processes in Embedded Systems. Twente: University of Twente, 2018.
[Photoinduced Processes in Embedded Systems. 24.06.2018-27.06.2018, Pisa]
R&D Projects: GA ČR GA17-01137S
Grant - others:COST(XE) CM1405
Institutional support: RVO:61388955
Keywords : vibrational spectra * Raman spectra * transition metal complexes
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0291347File Download Size Commentary Version Access 0499062.pdf 1 366.1 KB Publisher’s postprint open-access - 7.0498449 - ÚFCH JH 2019 FR eng A - Abstract
Záliš, Stanislav - Pižl, Martin - Fusé, M. - Barone, V. - Vlček, Antonín
Interpretation of time-resolved vibrational spectra of Ru and Re sensitizers by anharmonic calculations.
16th International Congress of Quantum Chemistry. Menton: IAQMS, 2018. B167-B167.
[International Congress of Quantum Chemistry /16./. 18.06.2018-23.06.2018, Menton]
R&D Projects: GA ČR GA17-01137S
Institutional support: RVO:61388955
Keywords : Ru and Re sensitizers * anharmonic vibrations * DFT
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0290815File Download Size Commentary Version Access 0498449.pdf 1 353.1 KB Publisher’s postprint require - 8.0491155 - ÚFCH JH 2019 HU eng A - Abstract
Pižl, Martin - Fusé, M. - Barone, V. - Vlček, Antonín - Záliš, Stanislav
Anharmonic effects in vibrational spectra of transition metal complexes.
Book of Abstracts. AMOC 2018. Budapest: AMOC Conferences, 2018. s. 111-111.
[AMOC 2018. Conference on Anharmonicity in Medium-Sized Molecules and Clusters /3./. 16.04.2018-19.04.2018, Budapest]
R&D Projects: GA MŠMT(CZ) LTC17052; GA ČR GA17-01137S
Grant - others:COST(XE) CM1405
Institutional support: RVO:61388955
Keywords : vibrational spectra * metal complexes * anharmonic effects
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0285210File Download Size Commentary Version Access 0491155.pdf 1 396.9 KB Publisher’s postprint require - 9.0484213 - ÚFCH JH 2018 CZ eng A - Abstract
Záliš, Stanislav - Heyda, J. - Pižl, Martin - Vlček, Antonín
Modelling of electron transfer in metal labelled proteins and systems containing multiple redox centers.
Modeling Interactions in Biomolecules VIII. Program & Book of Abstracts. Praha: Matfyspress, 2017. s. 46-46. ISBN 978-80-7378-348-8.
[Modeling Interactions in Biomolecules /8./. 03.09.2017-08.09.2017, Plzeň]
R&D Projects: GA MŠMT(CZ) LTC17052; GA ČR GA17-01137S
Institutional support: RVO:61388955
Keywords : electron transfer * metal labelled proteins * DFT
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0279350File Download Size Commentary Version Access 0484213.pdf 1 309.9 KB Publisher’s postprint require - 10.0476377 - ÚFCH JH 2018 GB eng A - Abstract
Pižl, Martin - Záliš, Stanislav - Vlček, Antonín - Gray, H. B.
Experimental and DFT studies of Excited States of Ir2(1,8-diisocyanomentahne)4 2+ Complex.
ISPPCC 2017. Book od Abstracts. Sheffield: University of Sheffield, 2017. s. 219-219.
[INTERNATIONAL SYMPOSIUM ON PHOTOCHEMISTRY OF PHOTOPHYSICS OF COORDINATION COMPOUNDS /22./. 09.07.2017-14.07.2017, Oxford]
R&D Projects: GA ČR GA17-01137S
Institutional support: RVO:61388955
Keywords : DFT studies * Ir2(1,8-diisocyanomentahne)4 2+ Complex * electrochemistry
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0272887File Download Size Commentary Version Access 0476377.pdf 1 508 KB Publisher’s postprint require