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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Dec-2023PBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-368.9709642; Eh
thumbnail.jpeg12-Dec-2023I2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-413.7969029; Eh
thumbnail.jpeg12-Dec-2023TS2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-414.8376267; Eh
thumbnail.jpeg12-Dec-2023TS1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-427.0197216; Eh
thumbnail.jpeg12-Dec-2023I1Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-413.0857213; Eh
thumbnail.jpeg12-Dec-2023SBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-427.8132754; Eh
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