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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2fecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1505.82685182; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilsnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-354.785194273; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2agnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-374.207454219; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fsnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-223.017435478; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilcucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-521.961374502; Eh
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