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Autor:
Sethio D; Department of Chemistry─BMC, Uppsala University, P.O. Box 576, SE-75123 Uppsala, Sweden.; Department of Chemistry─Ångström, Uppsala University, P.O. Box 538, SE-75121 Uppsala, Sweden., Azzopardi E; Department of Chemistry─BMC, Uppsala University, P.O. Box 576, SE-75123 Uppsala, Sweden., Fdez Galván I; Department of Chemistry─BMC, Uppsala University, P.O. Box 576, SE-75123 Uppsala, Sweden., Lindh R; Department of Chemistry─BMC, Uppsala University, P.O. Box 576, SE-75123 Uppsala, Sweden.; Uppsala Center for Computational Chemistry (UC3), Uppsala University, P.O. Box 576, SE-751 23 Uppsala, Sweden.
Publikováno v:
The journal of physical chemistry. A [J Phys Chem A] 2024 Mar 28; Vol. 128 (12), pp. 2472-2486. Date of Electronic Publication: 2024 Mar 14.
Autor:
Röckert A; Department of Chemistry - Ångström Laboratory, Uppsala University, 751 21 Uppsala, Sweden., Kullgren J; Department of Chemistry - Ångström Laboratory, Uppsala University, 751 21 Uppsala, Sweden., Sethio D; Department of Chemistry - Ångström Laboratory, Uppsala University, 751 21 Uppsala, Sweden., Agosta L; Department of Chemistry - Ångström Laboratory, Uppsala University, 751 21 Uppsala, Sweden., Hermansson K; Department of Chemistry - Ångström Laboratory, Uppsala University, 751 21 Uppsala, Sweden.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Jul 28; Vol. 159 (4).
Autor:
Sethio D; Department of Chemistry - BMC, Uppsala University, Box 576, SE-751 23Uppsala, Sweden., Poongavanam V; Department of Chemistry - BMC, Uppsala University, Box 576, SE-751 23Uppsala, Sweden., Xiong R; Department of Chemistry - BMC, Uppsala University, Box 576, SE-751 23Uppsala, Sweden., Tyagi M; Department of Chemistry - BMC, Uppsala University, Box 576, SE-751 23Uppsala, Sweden., Duy Vo D; Department of Chemistry - BMC, Uppsala University, Box 576, SE-751 23Uppsala, Sweden., Lindh R; Department of Chemistry - BMC, Uppsala University, Box 576, SE-751 23Uppsala, Sweden., Kihlberg J; Department of Chemistry - BMC, Uppsala University, Box 576, SE-751 23Uppsala, Sweden.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2023 Jan 09; Vol. 63 (1), pp. 138-146. Date of Electronic Publication: 2022 Dec 23.
Autor:
Wilcox S; Department of Chemistry - BMC, Uppsala University, SE-751 23 Uppsala, Sweden. mate.erdelyi@kemi.uu.se., Sethio D; Department of Chemistry - BMC, Uppsala University, SE-751 23 Uppsala, Sweden. mate.erdelyi@kemi.uu.se., Ward JS; University of Jyvaskyla, Department of Chemistry, 40014 Jyväskylä, Finland., Frontera A; Department of Chemistry, Universitat de les Illes Balears, Crts de Valldemossa km 7.6, Palma de Mallorca Baleares 07122, Spain., Lindh R; Department of Chemistry - BMC, Uppsala University, SE-751 23 Uppsala, Sweden. mate.erdelyi@kemi.uu.se., Rissanen K; University of Jyvaskyla, Department of Chemistry, 40014 Jyväskylä, Finland., Erdélyi M; Department of Chemistry - BMC, Uppsala University, SE-751 23 Uppsala, Sweden. mate.erdelyi@kemi.uu.se.
Publikováno v:
Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2022 Apr 19; Vol. 58 (32), pp. 4977-4980. Date of Electronic Publication: 2022 Apr 19.
Autor:
von der Heiden D; Department of Chemistry - BMC, Uppsala University, SE-751 23 Uppsala, Sweden. mate.erdelyi@kemi.uu.se., Németh FB; Institute of Organic Chemistry, Research Centre for Natural Sciences, H-1117 Budapest, Hungary., Andreasson M; Department of Chemistry and Molecular Biology, University of Gothenburg, SE-412 96 Gothenburg, Sweden., Sethio D; Department of Chemistry - BMC, Uppsala University, SE-751 23 Uppsala, Sweden. mate.erdelyi@kemi.uu.se., Pápai I; Institute of Organic Chemistry, Research Centre for Natural Sciences, H-1117 Budapest, Hungary.; Department of Chemistry, University J. Selyeho, 94505 Komárno, Slovakia., Erdelyi M; Department of Chemistry - BMC, Uppsala University, SE-751 23 Uppsala, Sweden. mate.erdelyi@kemi.uu.se.
Publikováno v:
Organic & biomolecular chemistry [Org Biomol Chem] 2021 Oct 06; Vol. 19 (38), pp. 8307-8323. Date of Electronic Publication: 2021 Oct 06.
Autor:
Jimmink B; Department of Chemistry-BMC, Uppsala University, SE-75123 Uppsala, Sweden., Sethio D; Department of Chemistry-BMC, Uppsala University, SE-75123 Uppsala, Sweden., Turunen L; Department of Chemistry-BMC, Uppsala University, SE-75123 Uppsala, Sweden., von der Heiden D; Department of Chemistry-BMC, Uppsala University, SE-75123 Uppsala, Sweden., Erdélyi M; Department of Chemistry-BMC, Uppsala University, SE-75123 Uppsala, Sweden.
Publikováno v:
Journal of the American Chemical Society [J Am Chem Soc] 2021 Jul 21; Vol. 143 (28), pp. 10695-10699. Date of Electronic Publication: 2021 Jul 08.
Autor:
Lindblad S; Department of Chemistry-BMC, Uppsala University, Uppsala SE-751 23, Sweden. Mate.Erdelyi@kemi.uu.se., Sethio D; Department of Chemistry-BMC, Uppsala University, Uppsala SE-751 23, Sweden. Mate.Erdelyi@kemi.uu.se., Berryman OB; Department of Chemistry and Biochemistry, 32 Campus Drive, University of Montana, Missoula, Montana 59812, USA. Orion.Berryman@mso.umt.edu., Erdélyi M; Department of Chemistry-BMC, Uppsala University, Uppsala SE-751 23, Sweden. Mate.Erdelyi@kemi.uu.se.
Publikováno v:
Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2021 Jun 24; Vol. 57 (51), pp. 6261-6263.
Autor:
Delgado AAA; Department of Chemistry, Computational and Theoretical Chemistry Group (CATCO), Southern Methodist University, 3215 Daniel Avenue, Dallas, Texas 75275-0314, USA., Sethio D; Department of Chemistry - BMC, Uppsala University, Husargatan 3, 75237 Uppsala, Sweden., Munar I; Department of Chemistry, Boǧaziçi University, Bebek 34342, Istanbul, Turkey., Aviyente V; Department of Chemistry, Boǧaziçi University, Bebek 34342, Istanbul, Turkey., Kraka E; Department of Chemistry, Computational and Theoretical Chemistry Group (CATCO), Southern Methodist University, 3215 Daniel Avenue, Dallas, Texas 75275-0314, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2020 Dec 14; Vol. 153 (22), pp. 224303.
Autor:
Sethio D; Department of Chemistry-BMC, Uppsala University, Box 576, 751 23 Uppsala, Sweden., Raggi G; Department of Chemistry-BMC, Uppsala University, Box 576, 751 23 Uppsala, Sweden., Lindh R; Department of Chemistry-BMC, Uppsala University, Box 576, 751 23 Uppsala, Sweden., Erdélyi M; Department of Chemistry-BMC, Uppsala University, Box 576, 751 23 Uppsala, Sweden.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2020 Dec 08; Vol. 16 (12), pp. 7690-7701. Date of Electronic Publication: 2020 Nov 02.