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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2021	/benchmarking/M06_L_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06L	6-311+G(D,P) GENECP	-312.0715822; Eh
	30-May-2021	/benchmarking/M11_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-3258.275085; Eh
	30-May-2021	/benchmarking/M11_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-311.9027729; Eh
	15-Aug-2020	/Vibrational-modes freq-CO3-4	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1865.02485313; eV
	15-Aug-2020	/Vibrational-modes freq-CO3-5	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Frequencies	DFT	-	-1864.57692369; eV
	8-Jan-2020	/Energies_to_plot_Pourbaix_diagram/doped_bulk_pbe_hse/nio2 pbestc	Zhou, Yecheng	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 03 2017 21:06:31) complex	Single point	DFT	-	-351.75998955; eV
	18-Sep-2019	screen_PtCl-oh	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2023.05468585; eV
	22-Jul-2018	/G09/G09_P1/H2 H2	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-1.17475627714; Eh
	15-May-2020	H2Mo2O7	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	15-May-2020	Mo3O10	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-

Results 20711-20720 of 103542 (Search time: 0.012 seconds).