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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes shalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-2022.18130639; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-ircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1195.41367047; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sime3conh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-837.520329166; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3oso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-776.760920899; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sih3-ticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1730.41952342; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3znch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-907.766142386; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes skBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-426.534571581; Eh
Login required1-Sep-2023Cplx2Xie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1127.4823263; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3ircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1365.04962586; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pme3cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-827.684601535; Eh
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