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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2nbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-336.900521746; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2mno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-385.907752856; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2kBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-84.2593967821; Eh
thumbnail.jpeg8-Nov-2018/vacuum/complexes saucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-626.868442305; Eh
thumbnail.jpeg8-Nov-2018/vacuum/complexes sih3-kBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-319.599511211; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-633.328929140; Eh
thumbnail.jpeg8-Nov-2018/vacuum/complexes imno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-341.392991248; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1100.38275816; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2cro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-368.768007797; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2574.77111422; Eh
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