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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Co/0001 2112-2011	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	23-Jul-2024	/Ni_111 Ni-HCOOH	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-281.04049577; eV
	23-Jul-2024	/Ni_111 Ni-H2O	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-265.57313083; eV
	23-Jul-2024	/Ni_111 Ni-HCOO	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-278.19430921; eV
	6-Sep-2024	/M06L/Ta Ta04O12-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/PBE/W W02O07-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.08328152; Eh
	9-May-2024	/Ni/BS2/NHC_CF3 A3	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-3125.2002258; Eh
	9-May-2024	/Ni/BS2/NHC_CF3 A2	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-5215.0584529; Eh
	9-May-2024	/Ni/BS2/NHC_CF3 A1	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-5215.0136141; Eh
	9-May-2024	/Ni/BS2/NHC_CF3 RETS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-2872.5375496; Eh

Results 76711-76720 of 104126 (Search time: 0.046 seconds).