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The Journal of Physical Chemistry. B|February 4, 2014
Physical nature of intermolecular interactions in [BMIM][PF6] ionic liquidBorys Szefczyk, W Andrzej SokalskiJournal of Chemical Theory and Computation|April 14, 2020
Bottom-Up Nonempirical Approach To Reducing Search Space in Enzyme Design Guided by Catalytic FieldsWiktor Beker, W Andrzej SokalskiChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 28, 2017
Are Various σ-Hole Bonds Steered by the Same Mechanisms?Sławomir J Grabowski, W Andrzej SokalskiJournal of Molecular Modeling|July 15, 2015
Universal short-range ab initio atom-atom potentials for interaction energy contributions with an optimal repulsion functional formJan K Konieczny, W Andrzej SokalskiJournal of Molecular Modeling|March 12, 2008
Ab initio multireference study of Hetero-Diels-Alder reaction of buta-1,3-diene with alkyl glyoxylatesBorys Szefczyk, Tadeusz Andruniów, W Andrzej SokalskiThe Journal of Physical Chemistry. B|October 14, 2021
Catalytic Fields as a Tool to Analyze Enzyme Reaction Mechanism Variants and Reaction StepsPaweł Kędzierski, Martyna Moskal, W Andrzej SokalskiThe Journal of Physical Chemistry. B|April 16, 2020
Extreme Catalytic Power of Ketosteroid Isomerase Related to the Reversal of Proton Dislocations in Hydrogen-Bond NetworkPaweł Kędzierski, Maria Zaczkowska, W Andrzej SokalskiJournal of Molecular Modeling|March 27, 2007
Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactionsEdyta Dyguda-Kazimierowicz, W Andrzej Sokalski, Jerzy LeszczyńskiThe Journal of Physical Chemistry. A|April 8, 2006
The possible covalent nature of N-H...O hydrogen bonds in formamide dimer and related systems: an ab initio studySławomir J Grabowski, W Andrzej Sokalski, Jerzy LeszczynskiThe Journal of Physical Chemistry. B|June 10, 2014
Alkaline hydrolysis of organophosphorus pesticides: the dependence of the reaction mechanism on the incoming group conformationEdyta Dyguda-Kazimierowicz, Szczepan Roszak, W Andrzej SokalskiPageof 4