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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Oct-2017/Other_Phosphines NiPMePh2-4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-3548.50365790; Eh
thumbnail.jpeg26-Oct-2017/Toluene 5-I_T-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1796.04880792; Eh
thumbnail.jpeg26-Oct-2017/THF PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-461.173291179; Eh
thumbnail.jpeg26-Oct-2017/Other_Phosphines NiPMePh2-2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-1858.88033969; Eh
thumbnail.jpeg26-Oct-2017/Toluene TS-4-5-I_T-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1796.02642847; 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/Toluene TS-4-5-I-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1796.04305854; Eh
thumbnail.jpeg26-Oct-2017/THF TS-9-3-I-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1334.89533628; Eh
thumbnail.jpeg26-Oct-2017/Toluene NiPMe3-2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1091.70878163; Eh
thumbnail.jpeg26-Oct-2017/THF 6-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1566.19226774; Eh
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