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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1004.06748281; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2conh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-506.214905400; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1768.25557794; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1506.09371145; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2130.39032126; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-719.542364105; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2cunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-444.864004749; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1735.64725585; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-504.963859451; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-695.434738314; Eh
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