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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-980.866595280; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2pdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-549.118621747; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2cro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-390.796506012; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-725.143353535; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1767.02217569; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-1701.34491299; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-392.767054985; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchalcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*-1700.11036886; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchtame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-309.8443703; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nchconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-521.1239819; Eh
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