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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2snipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2493.39555561; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinagacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1631.16489057; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ph3zrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-735.586630088; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ph3snme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-466.044077200; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes piridinaptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-710.890486392; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohgacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1458.78482884; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2sincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1321.49834363; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohzncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1683.77461096; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-359.308770227; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ohagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-449.070805939; Eh
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