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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2024	TSE2b_SM15	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1284.01554527; Eh
	29-Jul-2024	TSF3b-boat	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1090.05078234; Eh
	29-Jul-2024	TSC2biso	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1496.89648658; Eh
	17-Jan-2026	SP_TSE3d	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1074.3042966; Eh
	16-Mar-2026	DLPNO-CCSDparT_TSE3c	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	dlpno-ccsd(t)	def2-tzvppd; def2-tzvppd/C; def2/J	-1068.95819468830996; Eh
	29-Jul-2024	SP_TSB2aiso_OtherSide	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1305.4014481; Eh
	29-Jul-2024	SP_TSB3b_alt	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1305.4269389; Eh
	29-Jul-2024	SP_TS2_SM15	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1515.4207666; Eh
	29-Jul-2024	SP_F3-chair	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1090.2678241; Eh
	29-Jul-2024	SP_E4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1074.3596; Eh

Results 1401-1410 of 2385 (Search time: 0.001 seconds).