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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 M1Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-1444.5065045; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M2Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-1444.5307359; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M17Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1493.0227482; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M20Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1146.2682235; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M19Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-1948.4886481; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M18Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-1948.4987251; Eh
thumbnail.jpeg14-Mar-2024/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M14Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1491.41614244; Eh
Results 21-30 of 48 (Search time: 0.001 seconds).