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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2019	/Rearrangement-Deproton-Oxidation 13	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1769.0526315; Eh
	17-Jan-2019	/L2 1c	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-1334.08443807; Eh
	24-Jan-2019	_Ru(bpy)3_2+_triplet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-1580.3533694; Eh
	24-Jan-2019	_Ru(bpy)3_2+_singlet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1580.4263952; Eh
	3-Feb-2017	TS3-H2O_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; M062X; UFF	-	-983.303119139; Eh
	3-Feb-2017	H_solvent	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-2045.29984337; Eh
	3-Feb-2017	H_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; M062X; UFF	-	-1059.74111348; Eh
	17-Jan-2019	/L2 1d	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-1410.04411699; Eh
	3-Feb-2017	TS1-H2O_solvent	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-2045.23493578; Eh
	3-Feb-2017	TS3-H2O_solvent	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-1968.82808174; Eh

Results 1301-1310 of 12842 (Search time: 0.004 seconds).