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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	m062xD3defLLTSP_c60_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2283.87635474; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_056 disp_056	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61385692; eV
	28-Aug-2024	c60cn_nasalt_dmf	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-2790.05258292; Eh
	28-Aug-2024	c60cn_kcn6_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-6443.30536774; Eh
	28-Aug-2024	c60cn_kcn9_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-8521.84186307; Eh
	28-Aug-2024	c60cn_ksalt_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-2979.10054737; Eh
	29-Jul-2024	SP_A2biso_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1321.4078992; Eh
	29-Jul-2024	SP_A2b_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1321.4051802; Eh
	29-Jul-2024	SP_B11biso-goldful	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1116.8665938; Eh
	29-Jul-2024	SP_B10biso	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1345.5812004; Eh

Results 231-240 of 100134 (Search time: 0.003 seconds).