P
Petr Slavíček
Researcher at Institute of Chemical Technology in Prague
Publications - 151
Citations - 4194
Petr Slavíček is an academic researcher from Institute of Chemical Technology in Prague. The author has contributed to research in topics: Ionization & Excited state. The author has an hindex of 34, co-authored 141 publications receiving 3575 citations. Previous affiliations of Petr Slavíček include University of Göttingen & University of Illinois at Urbana–Champaign.
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Adsorption of Atmospherically Relevant Gases at the Air/Water Interface: Free Energy Profiles of Aqueous Solvation of N2, O2, O3, OH, H2O, HO2, and H2O2
TL;DR: In this paper, free energy profiles associated with moving atmospheric gases or radicals across the air/water interface were calculated as potentials of mean force by classical molecular dynamics simulations, and with the employed force field, the experimental hydration free energies were satisfactorily reproduced.
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A fully size-resolved perspective on the crystallization of water clusters.
TL;DR: The number of water molecules needed to form the smallest ice crystals has proven challenging to pinpoint experimentally as discussed by the authors, which is why it has been difficult to pinpoint the number of molecules needed for the formation of the smallest water molecules.
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State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: Ar2, Kr2, and Xe2
TL;DR: In this article, a CCSDT correction has been calculated using aug-cc-pVTZ+spd basis set for the argon dimer, and the results showed that using bond functions significantly improved the basis set convergence.
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Ionization energies of aqueous nucleic acids: photoelectron spectroscopy of pyrimidine nucleosides and ab initio calculations.
TL;DR: Accurate aqueous-phase vertical ionization potentials provide a significant improvement to the corrected gas-phase values used in the literature and represent important information in assessing the threshold energies for photooxidation and oxidation free energies of solvent-exposed DNA components.
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Ab initio floating occupation molecular orbital-complete active space configuration interaction: an efficient approximation to CASSCF.
Petr Slavíček,Todd J. Martínez +1 more
TL;DR: It is found that FOMO-CASCI often represents a good approximation to the state-averaged complete active space self-consistent field (SA-CasSCF) method, and is therefore an attractive alternative for use in ab initio photodynamics.