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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2019	HINEt3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-304.588112; Eh
	24-Jan-2019	HNEt3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-293.0014291; Eh
	24-Jan-2019	cod	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-312.143059; Eh
	24-Jan-2019	HI	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-11.9943817; Eh
	19-Mar-2026	/VW V00W06O21-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.23742045; Eh
	26-Oct-2017	/Organic_path_a TSa_	Bandeira, Nuno	ADF; 2013; 01	TS	DFT	DZP	-4.02771758; Eh
	24-Jan-2019	/Beta-Hydride_Elimination TS-NEt3-4-12	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2388.2245222; Eh
	24-Jan-2019	/Beta-Hydride_Elimination TS-iodine-4-12	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.6714676; Eh
	24-Jan-2019	/Rearrangement-Deproton-Oxidation 3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1781.1179749; Eh
	24-Jan-2019	NEt3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-292.5253378; Eh

Results 8161-8170 of 103542 (Search time: 0.007 seconds).