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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes brfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1057.83196679; Eh
thumbnail.jpeg3-Oct-2019thf_dosmet240Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3661.515623; Eh
thumbnail.jpeg3-Oct-2019gas_dostransph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3425.558205; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cofecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1617.98443720; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ifecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1516.24050002; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hfecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1505.34940826; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xefecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1059.62485221; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1442.73913000; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1685.07215447; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1044.96613188; Eh
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