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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Apr-2020	/Ni-nanoparticle/Ni(100) Ni(100)-cooh	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-283.07303227; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(100) Ni(100)-co2	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-279.50635354; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(100) Ni(100)-clean	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-256.60787819; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(100) NI(100)-co	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-273.05911660; eV
	27-Apr-2020	/Ni-nanoparticle/Ni(100) Ni(100)-h	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-388.31473779; eV
	6-Aug-2020	/freq/intermediates/Ni/I top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-186.45284004; eV
	23-Feb-2021	naked_trimer_H2-hydride	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1929.33566998; eV
	19-Jan-2022	/benchmark-Hubbard NiO(100)-3x3-CH2-U-6_3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-749.77165169; eV
	30-Jun-2020	i35210c	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-185.17692446; eV
	27-Apr-2020	/Ni_nanoparticle-dens_CO/Ni(100) Ni(100)-co-2_12ML	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-289.49647943; eV

Results 19411-19420 of 103542 (Search time: 0.012 seconds).