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Showing results 41 to 58 of 58 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jun-2020/LackingHydrogenBond H6H_ONIOM_P_OH-C7_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-150.9578847; Eh
thumbnail.jpeg23-Jun-2020/LackingHydrogenBond H6H_ONIOM_RI-C6_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-125.7553326; Eh
thumbnail.jpeg23-Jun-2020/LackingHydrogenBond H6H_ONIOM_RI-C7_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-122.5885819; Eh
thumbnail.jpeg23-Jun-2020/LackingHydrogenBond H6H_ONIOM_TS_OH-C6_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-125.7553326; Eh
thumbnail.jpeg23-Jun-2020/LackingHydrogenBond H6H_ONIOM_TS_OH-C7_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-122.0856883; Eh
thumbnail.jpeg23-Jun-2020TS1Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.5806141; Eh
thumbnail.jpeg23-Jun-2020TS1BMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.1629748; Eh
thumbnail.jpeg23-Jun-2020TS2Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.5924074; Eh
thumbnail.jpeg23-Jun-2020TS2_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.6338414; Eh
thumbnail.jpeg23-Jun-2020TS3Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.6214609; Eh
thumbnail.jpeg23-Jun-2020TS4_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.6446844; Eh
thumbnail.jpeg23-Jun-2020TS4BMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-915.6579274; Eh
thumbnail.jpeg23-Jun-2020TS5Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-992.5904823; Eh
thumbnail.jpeg23-Jun-2020TS5_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-916.0999699; Eh
thumbnail.jpeg23-Jun-2020TS5BMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-915.653199; Eh
thumbnail.jpeg23-Jun-2020TS6_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-916.1158661; Eh
thumbnail.jpeg23-Jun-2020TS6BMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-915.6565273; Eh
thumbnail.jpeg23-Jun-2020TSrMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.5927499; Eh
Showing results 41 to 58 of 58 < previous