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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2fecl3baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1940.95337696; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3crh2o5tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-2190.66383184; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ofecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1579.7437311; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-scunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-765.3143205; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes icrh2o5tripleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-480.455940951; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sime3crh2o5tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-878.238571904; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-hefecl3-baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1507.7969503; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-brfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1057.8616128; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-xefecl3-bai_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1520.3291334; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fenilfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1736.6578315; Eh
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