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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2299.32600646; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xezncl3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1623.6225105; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-tiofenozncl3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2161.1075909; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-tiofenozrome3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-945.5392459; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xesnme3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-138.4878129; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xeyh2o5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-435.7593212; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xewco5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-649.4419664; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xenbnh24_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-296.3192615; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xek_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPsdd-43.7977133; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-xefecl3bai_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1520.2067579; Eh
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