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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	/Mechanisms/Electrolyte_Path/1_H C	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-174.08833928; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/2_H N_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-177.45090888; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/3_H C	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-182.26781476; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/4_H N_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-186.15785095; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/5_H C	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-190.98437415; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/3_H N_Cov	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-173.64322912; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/3_H C_Cov	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-174.78142483; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/4_H_no_NH3 NH3_Desorption_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-161.57206860; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/4_H N_Cov_Regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-181.32561762; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/5_H C_Cov_Regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-165.28278724; eV

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