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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg2-Nov-2020/DHC CAS_DHC_TS_invWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-163.8269134; Eh
thumbnail.jpeg2-Nov-2020/DHC CAS_DHC_RIWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-164.7514637; Eh
thumbnail.jpeg2-Nov-2020/DHC CAS_DHC_SWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-268.1366529; Eh
thumbnail.jpeg2-Nov-2020/DGPC CAS_DPGC_TS_H2EWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-119.932777; Eh
thumbnail.jpeg2-Nov-2020/DHC CAS_DHC_RI_invWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-167.2797539; Eh
thumbnail.jpeg2-Nov-2020/DHC CAS_DHC_P_HWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-30.0396036; Eh
thumbnail.jpeg2-Nov-2020/DGPC CAS_DGPC_P_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-100.1907813; Eh
thumbnail.jpeg2-Nov-2020/DGPC CAS_DGPC_TS_H1Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-259.3638969; Eh
Results 21-30 of 64 (Search time: 0.0 seconds).