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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/Coverage_Path/1_H N_CovBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--170.72001618; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/1_H C_CovBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--170.05142436; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/2_H N_CovBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--170.85132036; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/2_H C_ElecBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--173.46987129; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/3_H C_ElecBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--178.37389819; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/3_H C_CovBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--174.78142483; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/3_H C_Elec_FreqBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexFrequenciesDFT--178.37384329; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/4_H N_Cov_RegenBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--181.32561762; eV
thumbnail.jpeg25-Feb-2021/Mechanisms/Coverage_Path/4_H N_ElecBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--182.45437333; eV
Results 271-280 of 4288 (Search time: 0.002 seconds).