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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_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/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/DHC CAS_DHC_RI_invWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-167.2797539; Eh
thumbnail.jpeg24-Jun-2020thb-E-SSangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-250.1753418; Eh
thumbnail.jpeg24-Jun-2020ori-E-SSangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED0.419501; Eh
thumbnail.jpeg24-Jun-2020ori-TS1Sangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED5.5361815; Eh
thumbnail.jpeg24-Jun-2020thb-E-PSangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-173.7680735; Eh
Results 31-40 of 78 (Search time: 0.001 seconds).