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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jan-2019IPrFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1160.444919; Eh
thumbnail.jpeg24-Jan-2019codFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-312.143059; Eh
thumbnail.jpeg24-Jan-2019/Beta-Hydride_Elimination TS-NEt3-4-12Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2388.2245222; Eh
thumbnail.jpeg24-Jan-2019/Beta-Hydride_Elimination TS-iodine-4-12Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.6714676; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1781.1179749; Eh
thumbnail.jpeg24-Jan-2019/Beta-Hydride_Elimination 12Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.2497108; Eh
thumbnail.jpeg24-Jan-2019/Beta-Hydride_Elimination 4Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7334151; Eh
thumbnail.jpeg24-Jan-2019HINEt3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-304.588112; Eh
thumbnail.jpeg24-Jan-2019HNEt3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-293.0014291; Eh
thumbnail.jpeg24-Jan-2019NEt3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-292.5253378; Eh
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