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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Nov-2020/DPC/re-position CAS_DPC_re-position_TSprim_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-113.0414472; Eh
thumbnail.jpeg2-Nov-2020/DPC/direct CAS_DPC_direct_TS_H2Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-102.0284163; Eh
thumbnail.jpeg2-Nov-2020/DPC/re-position CAS_DPC_re-position_Pprim_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-101.0602341; Eh
thumbnail.jpeg2-Nov-2020/DPC/direct CAS_DPC_direct_P_H2Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED41.8972671; Eh
thumbnail.jpeg2-Nov-2020/DPC/direct CAS_DPC_direct_TS_H1Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-261.0210478; Eh
thumbnail.jpeg2-Nov-2020/DPC/direct CAS_DPC_direct_P_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-81.2517094; Eh
thumbnail.jpeg2-Nov-2020/DPC/direct CAS_DPC_direct_ESWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-267.1498079; Eh
thumbnail.jpeg2-Nov-2020/DPC/direct CAS_DPC_direct_RIWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-104.081052; Eh
Results 121-128 of 128 (Search time: 0.0 seconds).