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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom75_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9672983; Eh
	26-Aug-2024	geom56_nox2_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1105.5758572; Eh
	26-Aug-2024	geom27_w3_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-3602.3595307; Eh
	26-Aug-2024	geom102_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-840.7825849; Eh
	7-Mar-2024	TSC10	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1675.91278362; Eh
	11-Nov-2022	/O-Cl_stability Cu80O36Cl4-03	Ibáñez-Alé, Enric	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-517.64620376; eV
	16-Feb-2023	/M_S_din6_as_c4_2346/Cd_S_din6_as_c4_2346 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-609.11988780; eV
	16-Feb-2023	/M_S_din6_as_c4_2346/Fe_S_din6_as_c4_2346 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-616.85614883; eV
	16-Feb-2023	/M_S_din6_as_c3_346/Zn_S_din6_as_c3_346 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-603.79531583; eV
	4-Sep-2023	m06lSP_H1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06L	6-311+G(D,P) SDD GENECP	-1139.973667; Eh

Results 37791-37800 of 103529 (Search time: 0.022 seconds).