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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes clhgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-636.804092333; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-crh2o5tripleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-508.871215339; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-yh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-459.997786884; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clsnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-583.375442834; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clcuch3_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-697.594536338; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-962.311434155; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-476.072189031; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clfecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1965.03366748; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1382.63548383; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes claucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1976.76124795; Eh
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