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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2024	SM11	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-339.760745270; Eh
	16-Mar-2026	SP_SM3_TPSShD3BJ	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-347.88310802098300; Eh
	29-Jul-2024	SP_TS2_SM15_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1515.4171881; Eh
	29-Jul-2024	postTSE5N_OMs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1738.03681974; Eh
	29-Jul-2024	TSB8biso-protodemet	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1345.22500242; Eh
	29-Jul-2024	SP_P3a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) GEN	-519.9856658; Eh
	29-Jul-2024	TS2_SM11	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1284.30341165; Eh
	29-Jul-2024	E2aiso	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1074.12292384; Eh
	16-Mar-2026	SP_E2b_TPSShD3BJ	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1074.34286467036191; Eh
	16-Mar-2026	NBO_TSF2b	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.85149358973695; Eh

Results 1441-1450 of 2450 (Search time: 0.001 seconds).