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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-Cu₂O-PBE+U-1-0-17-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-27.39874968; eV
	5-May-2020	U-Cu₂O-PBE+U-2-0-11-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-25.92213310; eV
	5-May-2020	U-Cu₂O-PBE+U-2-0-17-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-25.58682773; eV
	30-May-2021	/benchmarking/M06_6_311+Gdp NiBrdppf2+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-10908.6930663; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp TS_bH_elim_isomer	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7650.5266618; Eh
	30-Jun-2020	i451115	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-185.89438694; eV
	30-Jun-2020	i451120	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-186.34378277; eV
	5-May-2020	U-Cu₂O-PBE+U-4-0-17-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-22.11218999; eV
	5-May-2020	U-Cu₂O-PBE+U-3-0-17-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-23.82537873; eV
	5-May-2020	U-Cu₂O-PBE+U-3-0-11-e⁻	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-24.64699868; eV

Results 20621-20630 of 103542 (Search time: 0.014 seconds).