POMSnFF

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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-2-22
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegpom2_2Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.14416347; Eh
thumbnail.jpegadduct-3_tba-mediatedSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---12188.3965050; Eh
thumbnail.jpegpom1_3Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.19262679; Eh
thumbnail.jpegpom2_3Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.14416347; Eh
thumbnail.jpegtba_2Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---686.015050513; Eh
thumbnail.jpegtba_3Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---686.026550534; Eh
thumbnail.jpegadduct-2_tba-mediatedSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---12188.3963789; Eh
thumbnail.jpegpom1_2Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.17149045; Eh
thumbnail.jpegpom2_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.14738637; Eh
thumbnail.jpegadduct-1_tba-mediatedSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---12188.3522632; Eh
thumbnail.jpegtba_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---686.025411030; Eh
thumbnail.jpegpom1_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.10527399; Eh
thumbnail.jpegpom1_4Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.14050323; Eh
thumbnail.jpegadduct-4_directSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---11502.2976137; Eh
thumbnail.jpegpom2_6Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.13415150; Eh
thumbnail.jpegpom1_6Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.14871761; Eh
thumbnail.jpegadduct-6_directSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---11502.2845896; Eh
thumbnail.jpegpom2_5Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.15534709; Eh
thumbnail.jpegpom1_5Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---5751.13259707; Eh
thumbnail.jpegadduct-5_directSole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP---11502.2896522; Eh
Collection's Items (Sorted by in order): 1 to 20 of 21
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