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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilomepdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-817.319863775; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilomemno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-676.145270386; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1305.92430405; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilomeoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-662.277477110; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1755.72224957; Eh
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
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