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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_P_H2Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED32.3102884; 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_TS_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-109.0498481; Eh
thumbnail.jpeg2-Nov-2020/DPC/re-position CAS_DPC_re-position_TS_H2Wojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-103.1793484; Eh
thumbnail.jpeg2-Nov-2020/DPC/re-position CAS_DPC_re-position_RIWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-105.706899; 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_TS_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-102.3620835; Eh
thumbnail.jpeg2-Nov-2020/DPC/direct CAS_DPC_direct_RIWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-104.081052; Eh
thumbnail.jpeg2-Nov-2020/DPC/re-position CAS_DPC_re-position_RIprimWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-114.9243331; Eh
Results 51-60 of 64 (Search time: 0.001 seconds).