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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/M06_2X/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1690.42452263; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/TS1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311G**	-1501.8821659; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/TS2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311G**	-1690.479986; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/Reactants/Epoxyhexane Epoxyhexane	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-310.983018140; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/Reactants/Epoxyhexane/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-310.9868374; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/Reactants/Iodide/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-11.5129401; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/Reactants/CO2 CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-188.570158153; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	-	-11.4192618474; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/TS_isom TS_isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1690.41348352; Eh
	30-Jan-2019	/Gas_Opt/M06_2X/TS3 TS3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1690.40908375; Eh

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