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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M10Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGEN-2293.67764544; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M9Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGEN-2293.68657832; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M25Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGEN-1444.5546296; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M7Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1498.2794375; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M8Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEGEN-1499.99123310; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M6Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEGEN-2300.50126179; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M8Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1500.11839356; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M4Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGEN-1099.57755864; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M7Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1498.43183340; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M6Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGEN-2300.64268757; Eh
Results 31-40 of 48 (Search time: 0.001 seconds).