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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2017	3I1-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2233.80191973; Eh
	20-Jul-2017	MECP2t-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-31G(d)	-2194.48631374; Eh
	20-Jul-2017	I12-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.91009738; Eh
	20-Jul-2017	MECP1s-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48471558; Eh
	20-Jul-2017	MECP2s-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2194.48630451; Eh
	20-Jul-2017	MECP2t-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-31G(d)	-2233.80620109; Eh
	20-Jul-2017	MECP2s-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80620318; Eh
	20-Jul-2017	MECP1s-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80060063; Eh
	20-Jul-2017	MECP1t-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-31G(d)	-2233.80057246; Eh
	11-Feb-2022	TpBr3CuNH_Si_t_v6	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.68042228; Eh

Results 1521-1530 of 12842 (Search time: 0.004 seconds).