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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Feb-2021	/Coverage_Analysis H_Coverage_3x3	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-151.33538753; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/4_H C	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-185.25196196; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/5_H N	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-189.41900458; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/5_H C_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-190.98437352; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/6_H N_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-194.46354797; eV
	25-Feb-2021	/Mechanisms/Electrolyte_Path/7_H C_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-199.66615583; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/1_H N_Cov_Freq	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Frequencies	DFT	-	-170.71996485; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/3_H C_Elec	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-178.37389819; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/4_H C_Cov	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-178.31554392; eV
	25-Feb-2021	/Mechanisms/Coverage_Path/5_H C_Elec	Brennan, Kevin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-165.28280011; eV

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