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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes hptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-463.194847676; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-392.767054985; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes iZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2359.96187622; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2smosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1663.79400678; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinaincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1170.47086649; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pf3mosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1905.37703917; Eh
thumbnail.jpeg9-Nov-2018/vacuum/ligands h2ob3lypBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-76.4212295048; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2opdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-891.074255523; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1515.88294719; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes soso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-714.584916423; Eh
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