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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2021	i200101+i111101-i311103+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-159.97036841; eV
	29-Jul-2021	i200101+i110101-i310101+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-152.38576593; eV
	25-Jun-2024	/Intermediates/Au/110 HS_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	29-Jul-2021	Nb16O49_8H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-23.17226446; Eh
	29-Jul-2021	Nb6O19_3H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-9.01691747; Eh
	29-Jul-2021	Nb4O13_0H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.07776807; Eh
	7-Mar-2021	4O-doped-Ni(100)-3x3-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-396.22808598; eV
	7-Mar-2021	2O-doped-Ni(100)-3x3-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-384.52086047; eV
	7-Mar-2021	3O-doped-Ni(100)-3x3-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-391.57508787; eV
	7-Mar-2021	1O-doped-Ni(100)-3x3-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-378.60690661; eV

Results 62671-62680 of 104471 (Search time: 0.04 seconds).