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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jun-2023	Pt-4xN6-pristine-4xN6-8.87_31	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1956.38810961; eV
	30-Jun-2023	Pt-3xN6-pristine-3xN6-4.26_05	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1973.09185090; eV
	30-Jun-2023	Pt-3xN6-pristine-3xN6-4.26_04	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1973.34363000; eV
	30-Jun-2023	Pt-3xN6-pristine-3xN6-4.91_06	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1973.05239821; eV
	30-Jun-2023	Pt-4xN6-pristine-4xN6-8.87_33	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1956.31486129; eV
	30-Jun-2023	Ru-3xN6-Ru-3xN6-5.11_07	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1983.89226164; eV
	30-Jun-2023	Ru-3xN6-Ru-3xN6-8.63_15	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1983.93417449; eV
	29-Jan-2024	CH3OH	Garay Ruiz, Diego	ADF; 2016	Geometry optimization	PBE	TZ2P	-
	3-Feb-2023	/OD-Cu_sites s11	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1826.14898279; eV
	3-Feb-2023	/OD-Cu_sites s1	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1839.30842437; eV

Results 39591-39600 of 103928 (Search time: 0.019 seconds).