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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Apr-2024tC-DEA_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=dioxanePearce, HarrisonGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYP; TD-FCCC-PVDZ AUG-CC-PVDZ-1275.1088108; Eh
thumbnail.jpeg18-Apr-2024tC-MeO_tdb3-gd3bj_augccpVDZ@ccpVDZ_smdPearce, HarrisonGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYP; TD-FCAUG-CC-PVDZ-1177.0155607; Eh
thumbnail.jpeg18-Apr-2024tC-H_tdb3-gd3bj_augccpVDZ@ccpVDZ_smdPearce, HarrisonGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYP; TD-FCAUG-CC-PVDZ-1062.4697626; Eh
thumbnail.jpeg18-Apr-2024tC-DEA+6H2O_tdb3_ccpVTZ@ccpVDZ_smdPearce, HarrisonGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYP; TD-FCCC-PVTZ-1734.1132297; Eh
thumbnail.jpeg18-Apr-2024tC-DEA+6H2O_tdb3_pc1_smdPearce, HarrisonGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP; TD-FCGEN-1733.368467; Eh
thumbnail.jpeg13-Dec-2023B12I8SCN_1-_NPAKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureRB3LYPDEF2TZVPP-3172.5253426; Eh
thumbnail.jpeg13-Dec-2023B12I11_1-_NPAKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureRB3LYPDEF2TZVPP-3574.9187152; Eh
thumbnail.jpeg13-Dec-2023B12I9_1-_NPAKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureRB3LYPDEF2TZVPP-2979.1526775; Eh
thumbnail.jpeg18-Apr-2024tCo-Cl_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=dioxanePearce, HarrisonGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYP; TD-FCCC-PVDZ AUG-CC-PVDZ-1199.0893143; Eh
thumbnail.jpeg18-Apr-2024tCo-MeO_tdb3-gd3bj_augccpVDZ@ccpVDZ_smd=dioxanePearce, HarrisonGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYP; TD-FCCC-PVDZ AUG-CC-PVDZ-854.0097106; Eh
Results 3491-3500 of 3511 (Search time: 0.004 seconds).