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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-20172c+HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-992.958585360; Eh
thumbnail.jpeg26-Jan-20172a-2HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-992.888570238; Eh
thumbnail.jpeg26-Jan-20172bFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-993.182776456; Eh
thumbnail.jpeg26-Jan-20172dFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1068.47036374; Eh
thumbnail.jpeg26-Jan-2017HO···OH-·Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-151.713748250; Eh
thumbnail.jpeg26-Jan-2017H2OFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-76.4360937673; Eh
thumbnail.jpeg26-Jan-20171c-OHadductFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1331.38646854; Eh
thumbnail.jpeg26-Jan-20173c+HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-842.877832890; Eh
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
Results 1-10 of 32 (Search time: 0.001 seconds).