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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinsnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-377.141950425; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-305.072632687; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2snme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-124.037823782; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2gacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1383.98702657; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ofecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1581.24457480; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-716.628530140; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2aucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1517.54893064; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-922.978458248; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpinfecl3-baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1758.71903876; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes bpingacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1636.94435755; Eh
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