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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	U-Cu₂O-PBE+U-5-0-11-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-22.26582179; eV
	5-May-2020	U-Cu₂O-PBE+U-4-0-11-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-23.42836032; eV
	30-May-2021	/benchmarking/DLPNO-CCSDT-cc-pVTZ dppf	Nelson, David	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; cc-pVTZ/C	-3248.06564033; Eh
	30-May-2021	/benchmarking/M11_L_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-3259.1512276; Eh
	5-May-2020	U-Cu₂O-PBE+U-7-0-11-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-20.11123812; eV
	5-May-2020	U-Cu₂O-PBE+U-6-0-11-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-21.15800170; eV
	5-May-2020	U-Cu₂O-PBE+U-5-0-17-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-20.44970017; eV
	5-May-2020	U-Cu₂O-PBE+U-6-0-17-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-18.83747599; eV
	5-May-2020	U-Cu₂O-PBE+U-7-0-17-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-17.28116979; eV
	5-May-2020	U-Cu₂O-PBE+U-1-0-11-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-27.25014129; eV

Results 20631-20640 of 103542 (Search time: 0.013 seconds).