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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/Toluene TS-4-5-I_T-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1796.02642847; 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 6-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1566.19226774; Eh
thumbnail.jpeg26-Oct-2017/Other_Phosphines 6-I-PPh3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-3290.56151807; Eh
thumbnail.jpeg26-Oct-2017/Other_Phosphines 5-I-PPh3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-3522.20750246; Eh
thumbnail.jpeg26-Oct-2017/THF TS_H_abstraction_THFFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-464.165098393; Eh
thumbnail.jpeg26-Oct-2017/THF 7-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1104.99207500; Eh
thumbnail.jpeg26-Oct-2017/THF 5-Br-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1797.83450227; Eh
thumbnail.jpeg26-Oct-2017/THF 7-I-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-1103.20701080; Eh
Results 1-10 of 128 (Search time: 0.001 seconds).