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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	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
	21-Oct-2021	21rd	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.11382297; eV
	21-Oct-2021	33rd	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.20456342; eV
	21-Oct-2021	Glu_bidentate-1	Mates Torres, Eric	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 23:55:50) complex	Geometry optimization	DFT	-	-384.64045377; eV
	21-Oct-2021	Glu_bidentate-2	Mates Torres, Eric	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 23:55:50) complex	Geometry optimization	DFT	-	-384.59042375; eV
	21-Oct-2021	22rd	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.17020685; eV
	21-Oct-2021	22r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.14857771; eV
	21-Oct-2021	11rd_t	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.21255834; eV

Results 241-250 of 370 (Search time: 0.001 seconds).