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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/M06L/Ta Ta07O22-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	26-Aug-2024	geom0_w9_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-687.928871018; Eh
	6-Sep-2024	/PBE/W W04O15-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.61835166; Eh
	18-Jun-2024	/Transition_states/Co/0001 2113-2011	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_110 Ni-CH3OH	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-467.12971307; eV
	23-Jul-2024	/Ni_110 Ni-CH3O	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-463.65974482; eV
	23-Jul-2024	/Ni_110 Ni-CH3	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-456.63840443; eV
	26-Aug-2024	geom15_nox_w12_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-1240.75970668; Eh
	26-Aug-2024	geom54_nox3_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1429.0694248; Eh
	6-Sep-2024	/M06L/Ta Ta04O13-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-

Results 71511-71520 of 104445 (Search time: 0.045 seconds).