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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-617.292677429; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-ptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-658.596942395; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2388.36845185; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-741.186030941; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1364.35752928; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cnpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-564.028420324; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cncro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-405.671466415; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cnkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-121.182425990; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1703.71303144; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cnauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-571.815778755; Eh
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