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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021/Mechanisms/Electrolyte_Path/5_H C_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--190.98437352; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Electrolyte_Path/6_H N_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--194.46354797; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Electrolyte_Path/7_H C_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--199.66615583; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/1_H N_Cov_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--170.71996485; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/5_H C_Cov_Regen_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--165.28276145; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Electrolyte_Path/3_H C_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--182.26777500; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/4_H N_Elec_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--182.45433612; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/NEB/TS2 TS2_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--167.91435362; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Chemical_Path/2_H CH2N_freqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--172.91829290; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Chemical_Path/2_H CHNH_freqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--173.67893304; eV
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