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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/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/THF TS-8-9-Cl-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1783.69289962; 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 9-Cl-PMe3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-1783.75121852; Eh
thumbnail.jpeg26-Oct-2017/Other_Phosphines PMe2PhFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--652.964031445; Eh
thumbnail.jpeg26-Oct-2017/Other_Phosphines 1-I-PPh3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(d,p)-3522.20848963; Eh
thumbnail.jpeg26-Oct-2017/N_hexane NiPMe3-4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-2014.13698014; Eh
Results 1-10 of 176 (Search time: 0.001 seconds).