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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2019	/Gas_Opt/wB97XD/TS3 TS3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G**	-1690.86833679; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G**	-1690.88091830; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS_isom/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1690.9294888; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1690.9310675; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1502.341162; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1690.9355026; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-11.4797038944; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631d TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D)	-773.237920180; Eh
	8-May-2017	Ru-32217	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-365.26656214; eV
	30-Jan-2019	/Gas_Opt/wB97XD/TS_isom TS_isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G**	-1690.86916131; Eh

Results 4261-4270 of 104124 (Search time: 0.005 seconds).