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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1592.35217632; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ocucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-365.363967788; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes oaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-303.797279647; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2aucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1952.72793103; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilomecrh2o5tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-815.162509330; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2ptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-898.813836603; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilomesnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-469.315037433; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1613.65181130; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-688.815892917; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2fecl3baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1940.95337696; Eh
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