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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/Pinacolato TS3CsB-C	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1446.74892533; Eh
	21-Jun-2019	/Pinacolato TS4O_B	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1446.76110483; Eh
	21-Jul-2017	TS(5-8)f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.02221553; Eh
	21-Jul-2017	TS(4-7)f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.01528065; Eh
	21-Jun-2019	/Pinacolato PreProd_O_B	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1446.76110483; Eh
	21-Jun-2019	/Pinacolato TS2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-2142.05039100; Eh
	21-Jun-2019	/Pinacolato TS4C_B	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1446.74562497; Eh
	21-Jun-2019	/Pinacolato TS1_benzofuran2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1713.52611512; Eh
	21-Jul-2017	TS(5-6)f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.01591220; Eh
	21-Jul-2017	TS(2-4)f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.01289310; Eh

Results 21-30 of 2661 (Search time: 0.003 seconds).