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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019dmf_onemetBpf3bBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3380.2403532; Eh
thumbnail.jpeg3-Oct-2019dmf_dostransph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3425.570973; Eh
thumbnail.jpeg3-Oct-2019dmf_onemetBBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+G(D,P) SDD GEN-3200.3744059; Eh
thumbnail.jpeg6-Aug-2020/freq/intermediates/Cu/CI fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--144.08371657; eV
thumbnail.jpeg12-Feb-2019sa-OsCo-2313García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--550.15305768; eV
thumbnail.jpeg12-Feb-2019sa-NiFe-2414García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--293.57388266; eV
thumbnail.jpeg12-Feb-2019sa-NiCo-2211García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--284.57968611; eV
thumbnail.jpeg12-Feb-2019sa-IrRh-1211García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--429.55525030; eV
thumbnail.jpeg12-Feb-2019sa-NiFe-2101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--275.38133583; eV
thumbnail.jpeg12-Feb-2019sa-NiOs-1401García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--280.14328816; eV
Results 26081-26090 of 63315 (Search time: 0.03 seconds).