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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-20172eFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1068.50546629; Eh
thumbnail.jpeg26-Jan-20171dFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1331.40370840; Eh
thumbnail.jpeg26-Jan-20171bFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-1179.68076259; Eh
thumbnail.jpeg26-Jan-20171eFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1331.42934885; Eh
thumbnail.jpeg26-Jan-20173bFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-843.134527535; Eh
thumbnail.jpeg26-Jan-20172c-OHadductFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1068.46089415; Eh
thumbnail.jpeg26-Jan-20173d_primaFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-842.484120523; Eh
thumbnail.jpeg26-Jan-20172b+HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-993.650313558; Eh
thumbnail.jpeg26-Jan-20173c-HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-841.980528693; Eh
thumbnail.jpeg26-Jan-2017TS1d-eFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-1331.38744399; Eh
Results 11-20 of 35 (Search time: 0.001 seconds).