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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2022	/CuAg Ag(711)-3x3-OH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-133.98484132; eV
	28-May-2022	/CuAg Ag(711)-3x3-CH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-133.97209529; eV
	30-Sep-2021	/DCM/adducts_DCM/add_ch3i ch3i-cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-511.716511041; Eh
	24-Jul-2020	Mo7O23_1H_BP	Petrus, Enric	ADF; 2019	Geometry optimization	BP86	TZP	-9.26932406; Eh
	24-Jul-2020	Mo4O13_1H_BP	Petrus, Enric	ADF; 2019	Geometry optimization	BP86	TZP	-5.19111699; Eh
	24-Jul-2020	Mo4O13_0H_BP	Petrus, Enric	ADF; 2019	Geometry optimization	BP86	TZP	-5.23750523; Eh
	24-Jul-2020	Mo_6OH	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	19-Jan-2022	/benchmark-CO-adsorption 1O-doped-Ni(100)-3x3-PBE-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-374.64803901; eV
	19-Jan-2022	/benchmark-CO-adsorption 1O-doped-Ni(100)-3x3-BEEF-Clean	Dattila, Federico	vasp; 5.3.5; 31Mar14 (build May 05 2016 10:50:16) complex	Geometry optimization	DFT	-	-294.03778506; eV
	28-May-2022	/CuAg Ag(711)-3x3-CH2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-138.08608470; eV

Results 18141-18150 of 103928 (Search time: 0.011 seconds).