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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ch3-incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-962.3087324; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2sircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1303.28166422; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cohgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-289.7788462; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-chch2incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1000.3832806; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2349.6814521; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2sfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1443.50748726; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2089.0745384; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-brhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPsdd-189.9951124; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-scnfecl2sextup_boBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1535.4486488; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-shircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1302.9174676; Eh
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