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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Mar-2017Mo7O24_red_optMelgar, DoloresGaussian; 09; EM64L-G09RevA.02Geometry optimization StructureRBP86--2281.38519234; Eh
thumbnail.jpeg27-Mar-2017Mo7O24_red_ramanMelgar, DoloresGaussian; 09; EM64L-G09RevA.02Single point StructureRBP86--2281.38519234; Eh
thumbnail.jpeg24-Oct-2017/Keggin_POM_catalyst/Gaussian_Benchmark Gdiss-BP86_TZPRellán, MarcosGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311G*-51770.8990113; Eh
thumbnail.jpeg24-Oct-2017/Keggin_POM_catalyst/Gaussian_Benchmark Mdiss-BP86_TZPRellán, MarcosGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311G*-51770.8995212; Eh
thumbnail.jpeg24-Oct-2017/Keggin_POM_catalyst/Gaussian_Benchmark TSepim-BP86_TZPRellán, MarcosGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311G*-51770.8598705; Eh
thumbnail.jpeg30-Aug-2018TolueneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d)-271.558127933; Eh
thumbnail.jpeg30-Aug-2018VIII_singletBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d); sdd-1386.13884354; Eh
thumbnail.jpeg30-Aug-2018TS_IXBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31g(d); sdd-1174.91477106; Eh
thumbnail.jpeg30-Aug-2018I3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d); sdd-828.167872685; Eh
thumbnail.jpeg30-Aug-2018benzylalcoholBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31g(d)-346.771318955; Eh
Results 1-10 of 81 (Search time: 0.001 seconds).