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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Nov-2024	/Defects N2C_vac	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1888.96774841; eV
	3-Nov-2024	/Defects N3C_vac	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1889.73505633; eV
	29-Jul-2024	Int2_SM11b_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1284.32936455; Eh
	29-Jul-2024	Int2_SM11_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1284.32066862; Eh
	29-Jul-2024	Int2_SM10b_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1232.17924483; Eh
	29-Jul-2024	Int2_SM10_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1232.17073086; Eh
	29-Jul-2024	Int2_SM11	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1284.31858944; Eh
	29-Jul-2024	Int2_SM10	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1232.16294343; Eh
	29-Jul-2024	F5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-901.611333825; Eh
	6-Sep-2024	/M06L/W W06O20-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-

Results 2071-2080 of 100136 (Search time: 0.004 seconds).