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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-3412.20781076; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3fecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-2766.10329349; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofenofecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1274.17400025; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3ZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2523.03164390; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofenoalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-1853.29552364; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3pdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-989.160404601; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2tame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-272.659095677; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1746.21541464; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2pdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-870.789271402; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2oso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-371.997041406; Eh
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