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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-20172c-OHadductFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1068.46089415; Eh
thumbnail.jpeg26-Jan-2017TS3c-d_primaFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-842.443092692; Eh
thumbnail.jpeg26-Jan-20173c+HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-842.877832890; Eh
thumbnail.jpeg26-Jan-20172c-HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-992.033585211; Eh
thumbnail.jpeg26-Jan-20173aFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-843.328432871; Eh
thumbnail.jpeg26-Jan-2017TS3c-dFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-918.408317249; Eh
thumbnail.jpeg26-Jan-20172b-2HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-992.212731843; Eh
thumbnail.jpeg26-Jan-20171dFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1331.40370840; Eh
thumbnail.jpeg26-Jan-20173d_primaFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-842.484120523; Eh
thumbnail.jpeg26-Jan-2017TS1d-eFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-1331.38744399; Eh
Results 1-10 of 90 (Search time: 0.002 seconds).