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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-809.1083333; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-corhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-605.5437216; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-feniloso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-547.8183986; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-865.7061636; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-380.8549764; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-412.7867639; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-850.6703119; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1670.8063025; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-544.5527503; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-561.6209774; Eh
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