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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	U-surf+CO₂-PBE	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1864.36406381; eV
	30-May-2021	/benchmarking/M06_6_311+Gdp styrene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-309.4773324; Eh
	30-May-2021	/benchmarking/DLPNO-CCSDT-cc-pVTZ Nidppf2	Nelson, David	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; cc-pVTZ/C	-8002.78970376; Eh
	19-Jan-2022	/benchmark-defects-OH Ni(711)-CH-COOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-348.01113872; eV
	30-Jun-2020	i44121c	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-181.68269750; eV
	30-Jun-2020	i451101	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-186.92852343; eV
	5-May-2020	U-surf-PBE+U-3-0	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1565.45352724; eV
	5-May-2020	U-surf-PBE+U-6-0	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1323.00596828; eV
	5-May-2020	U-Cu₂O-PBE-11-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-27.20202715; eV
	5-May-2020	U-Cu₂O-PBE-17-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-27.37259415; eV

Results 16121-16130 of 104515 (Search time: 0.058 seconds).