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- 1.0523423 - ÚFCH JH 2021 RIV US eng J - Journal Article
Med, J. - Sršeň, Š. - Slavíček, Petr - Domaracka, A. - Indrajith, S. - Rousseau, P. - Fárník, Michal - Fedor, Juraj - Kočišek, Jaroslav
Vibrationally Mediated Stabilization of Electrons in Nonpolar Matter.
Journal of Physical Chemistry Letters. Roč. 11, č. 7 (2020), s. 2482-2489. ISSN 1948-7185
R&D Projects: GA ČR(CZ) GA19-01159S; GA ČR GA17-04844S; GA MŠMT(CZ) 7AMB17FR047
Institutional support: RVO:61388955
Keywords : ION PHOTOELECTRON-SPECTROSCOPY * CLUSTER ANIONS * CROSS-SECTIONS
OECD category: Physical chemistry
Impact factor: 6.475, year: 2020
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0307780File Download Size Commentary Version Access 0523423.pdf 1 2.7 MB Publisher’s postprint require - 2.0517209 - ÚFCH JH 2020 RIV GB eng J - Journal Article
Niman, J. W. - Kamerin, B. S. - Kranabetter, L. - Merthe, D. J. - Suchan, J. - Slavíček, Petr - Kresin, V. V.
Direct detection of polar structure formation in helium nanodroplets by beam deflection measurements.
Physical Chemistry Chemical Physics. Roč. 21, č. 37 (2019), s. 20764-20769. ISSN 1463-9076. E-ISSN 1463-9084
Institutional support: RVO:61388955
Keywords : dimethyl-sulfoxide * liquid-helium * infrared-spectroscopy * ultracold molecules * superfluid-helium * droplets
OECD category: Physical chemistry
Impact factor: 3.430, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302491File Download Size Commentary Version Access 0517209.pdf 0 2.3 MB Publisher’s postprint require - 3.0517126 - ÚFCH JH 2020 RIV GB eng J - Journal Article
Muchová, E. - Slavíček, Petr
Beyond Koopmans' theorem: electron binding energies in disordered materials.
Journal of Physics-Condensed Matter. Roč. 31, č. 4 (2019), č. článku 043001. ISSN 0953-8984. E-ISSN 1361-648X
Institutional support: RVO:61388955
Keywords : density-functional-theory * separated hybrid functionals * valence ionization energies * charge-transfer states * kohn-sham orbitals * ab-initio dft * photoelectron-spectroscopy * excited-states * aqueous-solutions * greens-function * ionization
OECD category: Physical chemistry
Impact factor: 2.705, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302415File Download Size Commentary Version Access 0517126.pdf 2 1.9 MB Author’s postprint open-access - 4.0511868 - ÚFCH JH 2020 RIV GB eng J - Journal Article
Ranković, Miloš - Chalabala, J. - Zawadzki, Mateusz - Kočišek, Jaroslav - Slavíček, Petr - Fedor, Juraj
Dissociative ionization dynamics of dielectric gas C3F7CN.
Physical Chemistry Chemical Physics. Roč. 21, č. 30 (2019), s. 16451-16458. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA TA ČR(CZ) TH03020063
Institutional support: RVO:61388955
Keywords : molecular-dynamics * nonadiabatic dynamics * mass-spectra * chemistry * replacement * mechanism * model * fock
OECD category: Physical chemistry
Impact factor: 3.430, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302115File Download Size Commentary Version Access 0511868.pdf 1 4.5 MB Publisher’s postprint require - 5.0507579 - ÚFCH JH 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. E-ISSN 1213-7103
Institutional support: RVO:61388955
Keywords : Artificial intelligence * Machine learning * Neural networks * qsar * Quantum chemistry * Theoretical chemistry
OECD category: Physical chemistry
Impact factor: 0.311, year: 2018
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0298567File Download Size Commentary Version Access 0507579.pdf 2 531 KB open access Publisher’s postprint open-access - 6.0506491 - ÚFCH JH 2020 RIV GB eng J - Journal Article
Poštulka, J. - Slavíček, Petr - Domaracka, A. - Pysanenko, Andriy - Fárník, Michal - Kočišek, Jaroslav
Proton transfer from pinene stabilizes water clusters.
Physical Chemistry Chemical Physics. Roč. 21, č. 26 (2019), s. 13925-13933. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GJ16-10995Y; GA MŠMT(CZ) 7AMB17FR047; GA ČR(CZ) GA17-04068S
Institutional support: RVO:61388955
Keywords : proton tranfer * clusters * pinene
OECD category: Physical chemistry
Impact factor: 3.430, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0297724File Download Size Commentary Version Access 0506491.pdf 1 4 MB Publisher’s postprint require - 7.0500331 - ÚFCH JH 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. E-ISSN 2045-2322
Grant - others:GA ČR(CZ) GA13-34168S
Institutional support: RVO:61388955
Keywords : x-ray * liquid water * relaxation processes * proton * photoemission * energies
OECD category: Physical chemistry
Impact factor: 4.122, year: 2017
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0292423File Download Size Commentary Version Access 0500331.pdf 1 2.6 MB open access Publisher’s postprint open-access - 8.0500251 - ÚFCH JH 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. E-ISSN 1097-461X
R&D Projects: GA ČR(CZ) GA17-04068S
Institutional support: RVO:61388955
Keywords : ab initio dynamics * [2 + 2] cycloaddition * metadynamics
OECD category: Physical chemistry
Impact factor: 2.263, year: 2018
Permanent Link: http://hdl.handle.net/11104/0292352File Download Size Commentary Version Access 0500251.pdf 2 1 MB Publisher’s postprint require - 9.0500250 - ÚFCH JH 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. E-ISSN 1549-9626
Grant - others:GA ČR(CZ) GA13-34168S
Institutional support: RVO:61388955
Keywords : quantum chemistry * ethylene * density-functional theory
OECD category: Physical chemistry
Impact factor: 5.313, year: 2018
Permanent Link: http://hdl.handle.net/11104/0292351File Download Size Commentary Version Access 0500250.pdf 2 715.5 KB Publisher’s postprint require - 10.0500249 - ÚFCH JH 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. E-ISSN 1520-5215
Grant - others:GA ČR(CZ) GA13-34168S; Ga MŠk(CZ) LM2015070
Institutional support: RVO:61388955
Keywords : MOLECULAR-DYNAMICS SIMULATIONS * IRRADIATED LIQUID WATER * ELECTRON DYNAMICS
OECD category: Physical chemistry
Impact factor: 2.641, year: 2018
Permanent Link: http://hdl.handle.net/11104/0292350File Download Size Commentary Version Access 0500249.pdf 2 513.4 KB Publisher’s postprint require