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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Apr-2020	/Surfaces 220_facet	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-46.65299292; eV
	17-Apr-2020	/H_coverage/MEMI_Znse/Neutral Site_8	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-325.04801952; eV
	17-Apr-2020	/H_coverage/MEMI_Znse/Added_electron Site_8	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-324.22754027; eV
	17-Apr-2020	/H_coverage/Bare_ZnSe/Neutral Site_5	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-51.37420374; eV
	17-Apr-2020	/H_coverage/Bare_ZnSe/Neutral Site_0	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-51.37434184; eV
	17-Apr-2020	/MEMI_coverage 12pc_coverage	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-310.60953585; eV
	17-Apr-2020	/Molecules H2	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-6.77207933; eV
	17-Apr-2020	/Molecules CO2	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 03 2018 15:26:03) complex	Geometry optimization	DFT	-	-22.96322169; eV
	17-Apr-2020	Bare_surface	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-49.66699443; eV
	21-Oct-2021	11r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.12047117; eV

Results 301-310 of 370 (Search time: 0.001 seconds).