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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jul-2019HOCOCF3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-526.7965489; Eh
thumbnail.jpeg9-Jul-2019HOAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-229.0740788; Eh
thumbnail.jpeg24-Jan-2020/opt_freq/Ru/CH3Br fccGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--316.55006913; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Co/CH3 fcc_rotGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--265.54203922; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Cu/Br hcpGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--137.72994090; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Co/H hcpGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--249.49861234; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Ni/CH2Br2 bri_topGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--209.04016544; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Ag/CH3Br hcpGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--121.54380021; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Ir/CH3Br topGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--305.03430385; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Co/CH2Br2 topGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--265.87644600; eV
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