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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Oct-2021	32rd	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.24085634; eV
	21-Oct-2021	24r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.14341594; eV
	27-Aug-2021	/RWGS 18	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-235.44832928; eV
	21-Oct-2021	23r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.21125915; eV
	21-Oct-2021	Glu_tridentate-water	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-400.05699762; eV
	27-Aug-2021	/RWGS TS10	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-248.64654909; eV
	27-Aug-2021	/RWGS TS11	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-248.06288302; eV
	27-Aug-2021	/RWGS 16	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-249.10650938; eV
	27-Aug-2021	/RWGS 15	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-249.40412067; eV
	27-Aug-2021	/RWGS 17	Vidal López, Anna	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex	Geometry optimization	DFT	-	-248.93699492; eV

Results 351-360 of 2587 (Search time: 0.001 seconds).