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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1592.4309142; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-554.7964009; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-504.349173; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-388.7457358; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-442.8116704; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1120.2837113; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1580.8640976; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-653.2822077; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-251.9429745; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-252.4743325; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-998.253861; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-979.9572595; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-104.2147002; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-405.7834838; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1340.5395883; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-356.8057505; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-590.0596858; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-391.9642463; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-890.6885518; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-ohpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-547.0658001; Eh