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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	k_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RB3LYP	6-31G(D)	-599.820471427; Eh
	29-Jul-2024	SP_C1a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1149.3796076; Eh
	29-Jul-2024	SP_B9biso	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1116.84757; Eh
	28-Aug-2024	m062xD3defLLTSP_c120_c_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-
	28-Aug-2024	gridm062xD3SP_c60_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P)	-2285.9180085; Eh
	28-Aug-2024	kcn_6an_nrsB	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-4249.95527138; Eh
	28-Aug-2024	kcn_5cat_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-3371.16166890; Eh
	28-Aug-2024	kcn_4_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-2771.31632080; Eh
	29-Jul-2024	SP_B3b_alt	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1305.4363624; Eh
	29-Jul-2024	SP_B4biso	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1305.4784781; Eh

Results 1661-1670 of 100136 (Search time: 0.004 seconds).