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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_RI-C6_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-125.7553326; Eh
thumbnail.jpeg23-Jun-2020/LackingHydrogenBond H6H_ONIOM_HAT2-C7_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-134.3905062; Eh
thumbnail.jpeg23-Jun-2020/LackingHydrogenBond H6H_ONIOM_HAT2-C6_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-130.4006465; 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-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_P_OH-C6_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-104.0388672; Eh
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_P_H_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-31.4406945; Eh
thumbnail.jpeg23-Jun-2020/LackingHydrogenBond H6H_ONIOM_P_H_2_noHbondWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-31.6935534; Eh
Results 1-10 of 28 (Search time: 0.001 seconds).