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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2024	/Ni/BS2/PCF3_3 A1	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GEN	-5669.0949605; Eh
	18-Jun-2024	/Transition_states/Co/0001 2212-1111+1101	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_211 Ni-ref	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.04059233; eV
	23-Jul-2024	/Ni_111 Ni-CH	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-263.71991706; eV
	23-Jul-2024	/Ni_111 Ni-C	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-259.30787710; eV
	26-Aug-2024	geom26_nox2_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1411.3407003; Eh
	6-Sep-2024	/M06L/Nb Nb04O13-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	9-May-2024	/generics/BS1 NHC_CF3	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-900.245252947; Eh
	9-May-2024	/generics/BS1 PhBOH_3	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-484.179959683; Eh
	9-May-2024	/generics/BS1 NHC	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-304.811665232; Eh

Results 74991-75000 of 104126 (Search time: 0.045 seconds).