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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1130.16485817; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-538.971896077; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-1849.52878386; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes heznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-269.662518643; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hepdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-817.523485131; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hemosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1267.24930224; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hemno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-332.425995206; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hekBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-31.0589441082; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hecro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-315.558996738; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2swco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1033.30820331; Eh
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