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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/Coverage_Path/6_H C_Cov_Regen	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-169.61660257; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/6_H C_Cov_Regen_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-169.61673412; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/NEB/HCN freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-170.05392513; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/NEB/TS2 TS2_Opt	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-167.91435392; eV
	25-Feb-2021	/Mechanisms/NaCN_Ads NaCN_Ads_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-169.10701019; eV
	25-Feb-2021	/Mechanisms/NaCN_Ads NaCN_Adsorption	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-169.10704566; eV
	25-Feb-2021	/Mechanisms/Chemical_Path/2_H CHNH	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-173.67897310; eV
	25-Feb-2021	/Coverage_Analysis/O 3_O	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-69.53447672; eV
	25-Feb-2021	/Coverage_Analysis/OH 1_OH	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-62.17438558; eV
	25-Feb-2021	/Coverage_Analysis/OH 2_OH_fcc_freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-72.93753491; eV

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