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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021/Coverage_Analysis/H H_fcc_freqBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexFrequenciesDFT--54.55010852; eV
thumbnail.jpeg25-Feb-2021/Coverage_Analysis/H H_hcp_freqBrennan, Kevinvasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complexFrequenciesDFT--55.08929133; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Electrolyte_Path/1_H C_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--174.08828156; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Electrolyte_Path/2_H N_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--177.45090888; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Electrolyte_Path/4_H N_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--186.15785095; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/4_H_no_NH3 NH3_Desorption_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--161.57206860; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/6_H C_Cov_Regen_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--169.61673412; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/NEB/HCN freqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--170.05392513; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/NaCN_Ads NaCN_Ads_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--169.10701019; eV
thumbnail.jpeg25-Feb-2021/Coverage_Analysis/OH 2_OH_fcc_freqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--72.93753491; eV
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