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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Oct-2017/THF 1-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1797.83835250; Eh
thumbnail.jpeg26-Oct-2017/THF 1-I-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1796.04683539; Eh
thumbnail.jpeg26-Oct-2017/THF THFFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-232.533046146; Eh
thumbnail.jpeg26-Oct-2017/THF NiPMe3-2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1091.70993065; Eh
thumbnail.jpeg26-Oct-2017/THF TS-8-9-Cl-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1783.69289962; Eh
thumbnail.jpeg26-Oct-2017/THF 9-I-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1334.91058742; Eh
thumbnail.jpeg26-Oct-2017/THF 2-I-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1796.11261245; Eh
thumbnail.jpeg26-Oct-2017/THF 3-I-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1334.92584591; Eh
thumbnail.jpeg26-Oct-2017/THF 9-Cl-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1783.75121852; Eh
thumbnail.jpeg26-Oct-2017/THF NiPMe3-3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1552.92475226; Eh
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