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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/PBE0 Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--414.64257032; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW Cu2O111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--240.31266288; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Mode3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--241.78759521; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--220.88097201; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--206.84093218; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--241.78759521; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--248.31634809; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model5Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--255.09794326; eV
thumbnail.jpeg20-Dec-2017d-12-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---700.85733507; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW H+Model1bVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--200.62667116; eV
Results 1-10 of 201 (Search time: 0.002 seconds).