Search results
- 1.0578748 - ÚFCH JH 2024 RIV US eng J - Journal Article
Janoš, J. - Vinklárek, Ivo S. - Rakovský, Jozef - Mukhopadhyay, D. P. - Curchod, B. F. E. - Fárník, Michal - Slavíček, P.
On the Wavelength-Dependent Photochemistry of the Atmospheric Molecule CFsub3/subCOCl.
ACS Earth and Space Chemistry. Roč. 7, č. 11 (2023), s. 2275-2286. ISSN 2472-3452. E-ISSN 2472-3452
Institutional support: RVO:61388955
Keywords : absorption cross-sections * quantum yields * cf3c(o)cl * dynamics * spectra * computational photochemistry * conical intersections * excited states * molecular beams * photodissociation * velocity map imaging * photolysis
OECD category: Physical chemistry
Impact factor: 3.4, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0347655File Download Size Commentary Version Access 0578748.pdf 0 7.8 MB open access Publisher’s postprint open-access - 2.0576467 - ÚOCHB 2024 RIV US eng J - Journal Article
Sarmah, Amrit - Sarma, M. - Sarma, M. - Hobza, Pavel
Functional Design of a Reconfigurable Molecular Nanomachine: A Promising Domain for Optically Propelled Molecular Motors.
Journal of Physical Chemistry C. Roč. 127, č. 37 (2023), s. 18574-18585. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR(CZ) GX19-27454X
Institutional support: RVO:61388963
Keywords : conical intersections * conductance * spin
OECD category: Inorganic and nuclear chemistry
Impact factor: 3.7, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcc.3c02533
Permanent Link: https://hdl.handle.net/11104/0346029 - 3.0519352 - ÚFCH JH 2020 RIV US eng J - Journal Article
Pederzoli, Marek - Baig, Mirza Wasif - Kývala, M. - Pittner, Jiří - Cwiklik, Lukasz
Photophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics.
Journal of Chemical Theory and Computation. Roč. 15, č. 9 (2019), s. 5046-5057. ISSN 1549-9618. E-ISSN 1549-9626
Institutional support: RVO:61388955
Keywords : singlet oxygen generation * fluorescence spectroscopy * conical intersections * basis-sets * dyes * dft * approximation * substitution * transitions * absorption
OECD category: Physical chemistry
Impact factor: 5.011, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0304345File Download Size Commentary Version Access 0519352.pdf 12 6.1 MB Publisher’s postprint require - 4.0509502 - ÚOCHB 2020 RIV US eng J - Journal Article
Pederzoli, M. - Baig, M. W. - Kývala, Mojmír - Pittner, J. - Cwiklik, Lukasz
Photophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics.
Journal of Chemical Theory and Computation. Roč. 15, č. 9 (2019), s. 5046-5057. ISSN 1549-9618. E-ISSN 1549-9626
Institutional support: RVO:61388963
Keywords : singlet oxygen generation * fluorescence spectroscopy * conical intersections
OECD category: Physical chemistry
Impact factor: 5.011, year: 2019
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jctc.9b00533
Permanent Link: http://hdl.handle.net/11104/0300239 - 5.0501643 - BFÚ 2019 RIV GB eng J - Journal Article
Janicki, M.J. - Szabla, Rafal - Šponer, Jiří - Gora, R.W.
Electron-driven proton transfer enables nonradiative photodeactivation in microhydrated 2-aminoimidazole.
Faraday Discussions. Roč. 212, DEC 1 2018 (2018), s. 345-358. ISSN 1359-6640. E-ISSN 1364-5498
Institutional support: RVO:68081707
Keywords : excited-state deactivation * repulsive (1)pi-sigma-asterisk states * conical intersections * water clusters
OECD category: Physical chemistry
Impact factor: 3.712, year: 2018
Permanent Link: http://hdl.handle.net/11104/0293637 - 6.0446305 - BFÚ 2016 RIV US eng J - Journal Article
Szabla, Rafal - Šponer, Jiří - Gora, R.W.
Electron-Driven Proton Transfer Along H2O Wires Enables Photorelaxation of pi sigma* States in Chromophore-Water Clusters.
Journal of Physical Chemistry Letters. Roč. 6, č. 8 (2015), s. 1467-1471. ISSN 1948-7185
R&D Projects: GA ČR(CZ) GA14-12010S
Institutional support: RVO:68081707
Keywords : PHOTOINDUCED PROCESSES * CONICAL INTERSECTIONS * ULTRAFAST DYNAMICS
Subject RIV: BO - Biophysics
Impact factor: 8.539, year: 2015
Permanent Link: http://hdl.handle.net/11104/0248301 - 7.0442955 - ÚFCH JH 2016 RIV GB eng J - Journal Article
Svrčková, Pavla - Pysanenko, Andriy - Lengyel, Jozef - Rubovič, Peter - Kočišek, Jaroslav - Poterya, Viktoriya - Slavíček, Petr - Fárník, Michal
Photodissociation dynamics of ethanethiol in clusters: complementary information from velocity map imaging, mass spectrometry and calculations.
Physical Chemistry Chemical Physics. Roč. 17, č. 39 (2015), s. 25734-25741. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA14-14082S; GA ČR GA14-08937S
Institutional support: RVO:61388955
Keywords : POTENTIAL-ENERGY SURFACES * METHYL MERCAPTAN * CONICAL INTERSECTIONS
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.449, year: 2015
Permanent Link: http://hdl.handle.net/11104/0245777 - 8.0442385 - BFÚ 2015 RIV GB eng J - Journal Article
Szabla, Rafal - Campos, J. - Šponer, Judit E. - Gora, R.W. - Sutherland, J.D. … Total 6 authors
Excited-state hydrogen atom abstraction initiates the photochemistry of beta-2 '-deoxycytidine.
Chemical Science. Roč. 6, č. 3 (2015), s. 2035-2043. ISSN 2041-6520. E-ISSN 2041-6539
R&D Projects: GA ČR(CZ) GA14-12010S
Institutional support: RVO:68081707
Keywords : ULTRAFAST IR SPECTROSCOPY * CONICAL INTERSECTIONS * CYTOSINE DERIVATIVES
Subject RIV: BO - Biophysics
Impact factor: 9.144, year: 2015
Permanent Link: http://hdl.handle.net/11104/0245228 - 9.0422232 - BFÚ 2014 RIV US eng J - Journal Article
Szabla, Rafal - Tuna, D. - Gora, R.W. - Šponer, Jiří - Sobolewski, A. L. - Domcke, W.
Photochemistry of 2-Aminooxazole, a Hypothetical Prebiotic Precursor of RNA Nucleotides.
Journal of Physical Chemistry Letters. Roč. 4, č. 16 (2013), s. 2785-2788. ISSN 1948-7185
R&D Projects: GA ČR(CZ) GAP208/10/2302; GA ČR ED1.1.00/02.0068
Institutional support: RVO:68081707
Keywords : EXCITED-STATE DYNAMICS * REPULSIVE (1)PI-SIGMA-ASTERISK STATES * CONICAL INTERSECTIONS
Subject RIV: BO - Biophysics
Impact factor: 6.687, year: 2013
Permanent Link: http://hdl.handle.net/11104/0228447 - 10.0393488 - ÚOCHB 2014 RIV GB eng J - Journal Article
Kleinermanns, K. - Nachtigallová, Dana - de Vries, M. S.
Excited state dynamics of DNA bases.
International Reviews in Physical Chemistry. Roč. 32, č. 2 (2013), s. 308-342. ISSN 0144-235X. E-ISSN 1366-591X
R&D Projects: GA ČR GAP208/12/1318
Grant - others:National Science Foundation(US) CHE-0911564; NASA(US) NNX12AG77G; Deutsche Forschungsgemeinschaft(DE) SFB 663; Deutsche Forschungsgemeinschaft(DE) KI 531-29
Institutional support: RVO:61388963
Keywords : DNA bases * nucleobases * excited state * dynamics * computations * gas phase * conical intersections
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.920, year: 2013
Permanent Link: http://hdl.handle.net/11104/0222224