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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-771.996032360; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-970.020502250; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scncro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-803.881416695; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinaZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2596.84169688; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinamno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-577.992593158; Eh
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