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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpincuch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-491.315726655; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cnnipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2186.95286208; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes clfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1965.00639367; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes brznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-296.902100025; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cnzncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1700.81881838; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes faucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-328.612385070; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cogacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1496.13757974; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cnaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-321.622894115; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes stame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-615.001751778; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cocuch3_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-350.604311275; Eh
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