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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Nov-2020/DHC CAS_DHC_TS_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-161.0163594; Eh
thumbnail.jpeg2-Nov-2020/DGPC CAS_DGPC_RIWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-118.9490188; Eh
thumbnail.jpeg2-Nov-2020/DGPC CAS_DGPC_P_H2EWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-4.9178028; Eh
thumbnail.jpeg2-Nov-2020/DGPC CAS_DGPC_TS_H2ZWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-122.8223935; Eh
thumbnail.jpeg2-Nov-2020/DGPC CAS_DGPC_TS_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-95.5719738; Eh
thumbnail.jpeg2-Nov-2020/DHC CAS_DHC_P_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-150.2224194; Eh
thumbnail.jpeg2-Nov-2020/DGPC CAS_DGPC_P_H2ZWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-10.236486; Eh
thumbnail.jpeg2-Nov-2020/DGPC CAS_DGPC_RIprimWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-117.1917246; Eh
thumbnail.jpeg2-Nov-2020/DHC CAD_DHC_TS_H2Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-168.2161787; Eh
thumbnail.jpeg2-Nov-2020/DHC CAS_DHC_TS_H1Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-264.2096752; Eh
Results 1-10 of 36 (Search time: 0.0 seconds).