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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M3Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGEN-1099.58027493; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M23Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1148.03481912; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M22Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1148.04064312; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M21Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1146.33656201; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M24Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGEN-1444.5533879; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M4Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-1099.4885138; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M3Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-1099.3155323; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M5Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-1451.6139691; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M11Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-2293.5363638; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M12Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEGEN-1491.32563502; Eh
Results 321-330 of 353 (Search time: 0.001 seconds).