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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Oct-2017/THF NiPMe3-3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1552.92475226; Eh
thumbnail.jpeg26-Oct-2017/THF 8-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1336.64535174; Eh
thumbnail.jpeg26-Oct-2017/THF 3-Cl-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1783.76597845; Eh
thumbnail.jpeg26-Oct-2017/THF 9-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1336.69800763; Eh
thumbnail.jpeg26-Oct-2017/THF TS-1-2-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1797.83515434; Eh
thumbnail.jpeg26-Oct-2017/THF 2-Cl-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-2244.95072080; Eh
thumbnail.jpeg26-Oct-2017/THF NiPMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-630.471631181; Eh
thumbnail.jpeg26-Oct-2017/THF 4-Cl-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-2244.89164340; Eh
thumbnail.jpeg26-Oct-2017/THF TS-8-9-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1336.64193985; Eh
thumbnail.jpeg26-Oct-2017/THF 2-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1797.88492862; Eh
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