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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Oct-2021	H2O	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-15.00239232; eV
	21-Oct-2021	Cys	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:37:38) gamma-only	Geometry optimization	DFT	-	-83.01843082; eV
	21-Oct-2021	41r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.21122470; eV
	21-Oct-2021	11rd	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.11687400; eV
	21-Oct-2021	44r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.31818278; eV
	21-Oct-2021	42r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.15551994; eV
	21-Oct-2021	43r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.27569017; eV
	21-Oct-2021	Glu	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:37:38) gamma-only	Geometry optimization	DFT	-	-233.81980683; eV
	24-May-2023	/High_coverage glycolaldehyde_formation_neb	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-535.47497588; eV
	24-May-2023	/High_coverage covered_surface	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-512.56808342; eV

Results 311-320 of 370 (Search time: 0.001 seconds).