Browsing by Author Ruiz, Andrea

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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegAC_BrCH-PtRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--694.02573503; eV
thumbnail.jpegAC_BrCH-Pt-HBrRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--700.19342853; eV
thumbnail.jpegAC_BrCH2-Pt-BrRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--700.88602602; eV
thumbnail.jpegAC_BrCH2-Pt-Br-H-HscRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--708.90488803; eV
thumbnail.jpegAC_BrCH2-Pt-Br-H2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--
thumbnail.jpegAC_BrCH2-Pt-HRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--701.68090439; eV
thumbnail.jpegAC_BrCH2-Pt-HBr-HRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--
thumbnail.jpegAC_BrCH3-PtRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--701.42866711; eV
thumbnail.jpegAC_CH2-Br-Pt-BrRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--700.16022919; eV
thumbnail.jpegAC_CH2Br2-PtRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--700.02515334; eV
thumbnail.jpegAC_freq_TS_addCH2Br2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--699.11414365; eV
thumbnail.jpegAC_freq_TS_addH2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--707.86330778; eV
thumbnail.jpegAC_freq_TS_BrCHRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--699.94632846; eV
thumbnail.jpegAC_freq_TS_CH2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--699.07518751; eV
thumbnail.jpegAC_freq_TS_CH3Br_formRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--701.73618477; eV
thumbnail.jpegAC_freq_TS_HBrRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--707.88193178; eV
thumbnail.jpegAC_TS_addCH2Br2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--699.76090643; eV
thumbnail.jpegAC_TS_addH2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--707.86330704; eV
thumbnail.jpegAC_TS_BrCHRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--699.94633243; eV
thumbnail.jpegAC_TS_CH2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--699.13872699; eV