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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Nov-2020/DGPC CAS_DGPC_ESWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-263.6769711; Eh
thumbnail.jpeg2-Nov-2020/DPC/re-position CAS_DPC_re-position_TS_H1Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-259.6873073; Eh
thumbnail.jpeg2-Nov-2020/DPC/re-position CAS_DPC_re-position_P_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-113.8205678; Eh
thumbnail.jpeg23-Jun-2020/extendedQM H6H_ONIOM_HAT1-C7_extendedWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-231.3505186; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_TS_OH-C6Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-113.6636483; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_HAT1-C6Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-226.5627083; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_P_OH-C6Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-120.8049891; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_RI-C6Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-116.2352725; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_ESWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-236.350199; Eh
thumbnail.jpeg23-Jun-2020H6H_ONIOM_HAT2-C7Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-107.6871372; Eh
Results 31-40 of 64 (Search time: 0.001 seconds).