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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jul-2017	TS(2-4)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RM06	6-31G; SDD*	-1137.96864593; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS6-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.83977928; Eh
	26-Sep-2016	/Silver Adduct_C	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1804.21136682; Eh
	18-Apr-2017	/wB97xD TS2_without_OPh_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LanL2DZ; 6-311G**	-1548.54463487; Eh
	21-Jul-2017	TS(4a-4ab)	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1253.48191446; Eh
	21-Jul-2017	TS(4-7)b	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1253.47715378; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) I7-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.85761942; Eh
	19-Jul-2017	/Hydrogen_substituent_(R=H)/Single_Points_Calculations TS7-SP-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ; 6-311++G(d,p)	-2194.91232711; Eh
	18-Apr-2017	/B3LYP adduct	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-1056.14943309; Eh
	21-Jul-2017	Int4j	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1214.20302088; Eh

Results 61-70 of 26442 (Search time: 0.003 seconds).