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Calculation of improved enthalpy and entropy of vaporization by a modified partition function in quantum cluster equilibrium theory.
J Chem Phys. 2021 Sep 14;155(10):104101. doi: 10.1063/5.0061187.
J Chem Phys. 2021.
PMID: 34525835
Uncertainty quantification of phase transition quantities from cluster weighting calculations.
Blasius J, Zaby P, Dölz J, Kirchner B.
Blasius J, et al. Among authors: zaby p.
J Chem Phys. 2022 Jul 7;157(1):014505. doi: 10.1063/5.0093057.
J Chem Phys. 2022.
PMID: 35803822
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Recognition in Chiral Ionic Liquids: The Achiral Cation Makes the Difference!
Blasius J, Zaby P, Hollóczki O, Kirchner B.
Blasius J, et al. Among authors: zaby p.
J Org Chem. 2022 Feb 4;87(3):1867-1873. doi: 10.1021/acs.joc.1c00939. Epub 2021 Jul 28.
J Org Chem. 2022.
PMID: 34319732
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Quantum Cluster Equilibrium Theory for Multicomponent Liquids.
Frömbgen T, Drysch K, Zaby P, Dölz J, Ingenmey J, Kirchner B.
Frömbgen T, et al. Among authors: zaby p.
J Chem Theory Comput. 2024 Mar 12;20(5):1838-1846. doi: 10.1021/acs.jctc.3c00799. Epub 2024 Feb 19.
J Chem Theory Comput. 2024.
PMID: 38372002
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Liquid Dynamics Determine Transition Metal-N-Heterocyclic Carbene Complex Formation.
Zaby P, Blasius J, Müller AK, Nolan SP, Hollóczki O.
Zaby P, et al.
Chemistry. 2023 Mar 28;29(18):e202300502. doi: 10.1002/chem.202300502. Epub 2023 Mar 2.
Chemistry. 2023.
PMID: 36861950
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Liquid Dynamics Determine Transition Metal-N-Heterocyclic Carbene Complex Formation.
Zaby P, Blasius J, Müller AK, Nolan SP, Hollóczki O.
Zaby P, et al.
Chemistry. 2023 Mar 28;29(18):e202203636. doi: 10.1002/chem.202203636. Epub 2023 Feb 7.
Chemistry. 2023.
PMID: 36655873
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