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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Apr-2017	ts_1b-2b	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31+g(d); LANL2DZ	-1971.96726912; Eh
	26-Apr-2017	1b	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d); LANL2DZ	-1971.97853112; Eh
	26-Apr-2017	dmf	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-248.368009832; Eh
	26-Apr-2017	H3O+	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-76.7673119194; Eh
	24-Jan-2019	/Reductive_Elimination 6	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2083.692716; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl TS-I7m-5m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-1976.14368165; Eh
	26-Oct-2017	/THF TS-4-5-Br-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-1797.82233890; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) 3I0ad-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2233.75524633; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) I10-2-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80814227; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) 3I8-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ; 6-31G(d)	-2233.81776636; Eh

Results 471-480 of 12948 (Search time: 0.003 seconds).