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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomeznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-613.2663212; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomeZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2694.907881; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-276.5198739; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1022.2929817; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2aucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1517.566464; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2hgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-177.693874; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-923.3450973; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2k_newBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-29.4519031; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2oaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1592.8552819; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2ohgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-252.9455589; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2oincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-998.6553635; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2szncl3_newfix2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2007.4846028; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2sZrCl5_newBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2747.9871569; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-h2ZrCl5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2349.7598415; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-halcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1624.0089748; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-haucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1517.2200947; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-hauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-479.5582204; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-hconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-429.1009633; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-hcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-313.4822082; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-hcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-367.5460124; Eh