Browsing by Author Besora, Maria

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes healcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1626.13851632; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1519.27433886; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-231.517342266; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-481.584261887; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-430.541951007; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hecrh2o5tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-471.515650046; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hecro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-315.558996738; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hecuch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-240.158261904; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hecucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-293.099913289; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hecunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-369.381175428; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hefecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1046.96262702; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hefecl3-baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1507.71533987; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hefecl3baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1507.55404544; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hefeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-580.188656807; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hegacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1385.71769016; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hehgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-179.372513899; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-924.965883654; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-906.751347792; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hekBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-31.0589441082; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hemno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-332.425995206; Eh