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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilomeptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-964.891609727; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2wco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1070.17684203; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-2114.43209016; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2784.66891498; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2ticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1875.30322168; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinapdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-719.421133961; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilomecro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-658.994644104; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-807.039262970; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes salcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-2021.50717865; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinaoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-563.901451737; Eh
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