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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/water//water complexes aq-clrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2150.5949424; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-359.9497881; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-670.334023; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1357.5217274; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-clpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-931.5022643; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1040.91233562; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-clwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1094.3162375; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-697.352894370; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1531.987894; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-clfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1037.7061161; Eh
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