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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jan-2020/opt_freq/Ni/CH3 top2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--204.03241660; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Ni/CH topGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--194.89317839; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Ni/CH3 hcp2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--204.61338001; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Pt/CBr fccGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--211.97073402; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Pt/Br fccGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--202.91785185; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Ni/CH fccGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--197.05147173; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Pt/CH fccGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--213.60774661; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Ni/CH3 fcc2Garcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--204.08367017; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Ni/CHBr hcpGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--198.75034770; eV
thumbnail.jpeg24-Jan-2020/opt_freq/Ni/H hcpGarcia, Sergio Pablovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--188.18305452; eV
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