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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes cnoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-408.813044130; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1899.39357092; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-917.547422556; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-484.608508180; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1057.83196679; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-auph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-518.867541659; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1278.09114108; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-492.389978988; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-326.244576976; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-343.351299511; Eh
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