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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/ts_freq/Cu R4Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--153.38488325; eV
thumbnail.jpeg/opt/Cu/CH3 fcc_normGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--148.36530207; eV
thumbnail.jpeg/opt/Cu/CH3 fcc_rotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--148.18361412; eV
thumbnail.jpeg/opt/Cu/CH3 hcp_normGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--148.18361412; eV
thumbnail.jpeg/opt/Cu/CH3 hcp_rotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--148.19544251; eV
thumbnail.jpeg/opt/Cu/CH3 top_normGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--148.21153426; eV
thumbnail.jpeg/opt/Cu/CH3 top_rotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--148.21288638; eV
thumbnail.jpeg/opt_freq/Cu/CH3 fcc_normGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--154.19397955; eV
thumbnail.jpeg/opt_freq/Cu/CH3 fcc_rotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--153.88554918; eV
thumbnail.jpeg/opt_freq/Cu/CH3 hcp_normGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--153.88554918; eV
thumbnail.jpeg/opt_freq/Cu/CH3 hcp_rotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--153.86246725; eV
thumbnail.jpeg/opt_freq/Cu/CH3 top_normGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--153.84156783; eV
thumbnail.jpeg/opt_freq/Cu/CH3 top_rotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--153.83681854; eV
thumbnail.jpeg/ts/Cu R4Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--147.04013255; eV
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