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Slavíček Petr

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Records found: 12

0507579 - UFCH-W 2020 RIV CZ cze J - Journal Article
Berka, K. - Sršeň, Š. - Slavíček, Petr
Je strojové učení budoucností teoretické chemie?
[Is machine learning the future of theoretical chemistry?]
Chemické listy. Roč. 112, č. 10 (2018), s. 640-647. ISSN 0009-2770
Institutional Support: RVO:61388955
Keywords: Artificial intelligence * Machine learning * Neural networks * qsar * Quantum chemistry * Theoretical chemistry
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 0.311, year: 2018
Permanent link: http://hdl.handle.net/11104/0298567

0495950 - UFCH-W 2019 RIV US eng J - Journal Article
Fárník, Michal - Pysanenko, Andriy - Moriová, Kamila - Ballauf, L. - Scheier, P. - Chalabala, J. - Slavíček, Petr
Ionization of Ammonia Nanoices with Adsorbed Methanol Molecules.
Journal of Physical Chemistry A. Roč. 122, č. 43 (2018), s. 8458-8468. ISSN 1089-5639
R&D Projects: GA ČR(CZ) GA17-04068S
Institutional Support: RVO:61388955
Keywords: PROTON-TRANSFER REACTIONS * HYDROGEN-BONDED CLUSTERS * INTERSTELLAR ICE ANALOGS
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 2.641, year: 2018

Fárník, Michal Slavíček, Petr
Permanent link: http://hdl.handle.net/11104/0288793

0460163 - UFCH-W 2017 RIV US eng J - Journal Article
Grygoryeva, Kateřina - Kubečka, J. - Pysanenko, Andriy - Lengyel, Jozef - Slavíček, Petr - Fárník, Michal
Photochemistry of Nitrophenol Molecules and Clusters: Intra- vs Intermolecular Hydrogen Bond Dynamics.
Journal of Physical Chemistry A. Roč. 120, č. 24 (2016), s. 4139-4146. ISSN 1089-5639
R&D Projects: GA ČR(CZ) GA15-12386S
Institutional Support: RVO:61388955
Keywords: photochemistry * clusters * laser techniques
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 2.847, year: 2016
Permanent link: http://hdl.handle.net/11104/0260286

0500331 - UFCH-W 2019 RIV GB eng J - Journal Article
Hollas, D. - Pohl, M. N. - Seidel, R. - Aziz, E. F. - Slavíček, Petr - Winter, B.
Aqueous Solution Chemistry of Ammonium Cation in the Auger Time Window.
Scientific Reports. Roč. 7, č. 1 (2017), č. článku 756. ISSN 2045-2322
GA ČR(CZ) GA13-34168S
Institutional Support: RVO:61388955
Keywords: x-ray * liquid water * relaxation processes * proton * photoemission * energies
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 4.122, year: 2017
Permanent link: http://hdl.handle.net/11104/0292423

0472673 - UFCH-W 2017 RIV NL eng J - Journal Article
Hollas, D. - Svoboda, O. - Slavíček, Petr
Fragmentation of HCl-water clusters upon ionization: Non-adiabatic ab initio dynamics study.
Chemical Physics Letters. Roč. 622, FEB 2015 (2015), s. 80-85. ISSN 0009-2614
Institutional Support: RVO:61388955
Keywords: molecular-dynamics * energy * simulations * acid
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 1.860, year: 2015
Permanent link: http://hdl.handle.net/11104/0270053

0500250 - UFCH-W 2019 RIV US eng J - Journal Article
Hollas, D. - Šištík, L. - Hohenstein, E. G. - Martínez, T. J. - Slavíček, Petr
Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method.
Journal of Chemical Theory and Computation. Roč. 14, č. 1 (2018), s. 339-350. ISSN 1549-9618
GA ČR(CZ) GA13-34168S
Institutional Support: RVO:61388955
Keywords: quantum chemistry * ethylene * density-functional theory
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 5.313, year: 2018
Slavíček, Petr
Permanent link: http://hdl.handle.net/11104/0292351

0472646 - UFCH-W 2017 RIV CZ cze J - Journal Article
Hollas, D. - Muchová, E. - Slavíček, Petr
Ve stínu elektronů: Kvantové efekty jader v chemii.
[In The Shadow of Electrons: Nuclear Quantum Effects in Chemistry.]
Chemické listy. Roč. 110, č. 5 (2016), s. 394-403. ISSN 0009-2770
R&D Projects: GA MŠk LD12025
Institutional Support: RVO:61388955
Keywords: water hexamer * quantum chemistry * nuclear quantum effects * zero point energy * quantum delocalization
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 0.387, year: 2016
Permanent link: http://hdl.handle.net/11104/0269894

0500249 - UFCH-W 2019 RIV US eng J - Journal Article
Chalabala, J. - Uhlig, F. - Slavíček, Petr
Assessment of Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) in Radiation Chemistry: Ionized Water Dimer.
Journal of Physical Chemistry A. Roč. 122, č. 12 (2018), s. 3227-3237. ISSN 1089-5639
GA ČR(CZ) GA13-34168S; Ga MŠk(CZ) LM2015070
Institutional Support: RVO:61388955
Keywords: MOLECULAR-DYNAMICS SIMULATIONS * IRRADIATED LIQUID WATER * ELECTRON DYNAMICS
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 2.641, year: 2018
Slavíček, Petr
Permanent link: http://hdl.handle.net/11104/0292350

0427157 - UFCH-W 2015 RIV US eng J - Journal Article
Lengyel, Jozef - Pysanenko, Andriy - Poterya, Viktoriya - Slavíček, Petr - Fárník, Michal - Kočišek, J. - Fedor, J.
Irregular Shapes of Water Clusters Generated in Supersonic Expansions.
Physical Review Letters. Roč. 112, č. 11 (2014), s. 113401. ISSN 0031-9007
R&D Projects: GA ČR GAP208/11/0161; GA ČR GA14-08937S
Institutional Support: RVO:61388955
Keywords: Argon clusters * Guest molecules * Interaction potentials
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 7.512, year: 2014
Permanent link: http://hdl.handle.net/11104/0232797

0500251 - UFCH-W 2019 RIV US eng J - Journal Article
Muchová, E. - Bezek, M. - Suchan, J. - Cibulka, R. - Slavíček, Petr
Molecular dynamics and metadynamics simulations of [2 + 2] photocycloaddition.
International Journal of Quantum Chemistry. Roč. 118, č. 10 (2018), č. článku e25534. ISSN 0020-7608
R&D Projects: GA ČR(CZ) GA17-04068S
Institutional Support: RVO:61388955
Keywords: ab initio dynamics * [2 + 2] cycloaddition * metadynamics
Subject RIV: CF - Physical & Theoretical Chemistry
Obor OECD: Physical chemistry
Impact factor: 2.263, year: 2018
Slavíček, Petr
Permanent link: http://hdl.handle.net/11104/0292352

0429553 - UFCH-W 2015 RIV US eng J - Journal Article
Poterya, Viktoriya - Kočišek, Jaroslav - Lengyel, Jozef - Svrčková, Pavla - Pysanenko, Andriy - Hollas, D. - Slavíček, Petr - Fárník, Michal
Clustering and Photochemistry of Freon CF2Cl2 on Argon and Ice Nanoparticles.
Journal of Physical Chemistry A. Roč. 118, č. 26 (2014), s. 4740-4749. ISSN 1089-5639
R&D Projects: GA ČR GA14-08937S
Institutional Support: RVO:61388955
Keywords: Chemical reactions * nanoparticles * Chlorine
Subject RIV: CF - Physical & Theoretical Chemistry
Impact factor: 2.693, year: 2014
Permanent link: http://hdl.handle.net/11104/0234644

0442955 - UFCH-W 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
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