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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Mechanisms/OH_Insertion/Bimetallic/TS_FC_2Al/Scan2D/FAIL FAIL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	-	-0.919379165136; Eh
	1-Dec-2017	/Mechanisms/OH_Insertion/Bimetallic/TS_FC_2Al/Scan2D Scan2D	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	-	-0.970058030316; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/TS/Scan2 Scan2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	-	-0.217608961065; Eh
	8-Oct-2019	/Racemization/TMA_Cat/PM6/Ensemble_Oriented Ensemble_Oriented	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-0.305796171352; Eh
	10-Jan-2020	propylene_oxide	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-
	8-Oct-2019	/Racemization/TMA_Cat/Ensemble/PM6 Ensemble	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-0.307506495988; Eh
	8-Oct-2019	/Racemization/TMA_Cat/Ensemble/PM6 Ensemble-Oriented	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-0.306980217793; Eh
	8-Oct-2019	/Racemization/TMA_Cat/PM6/TS1/Before Before	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-0.299247180580; Eh
	8-Oct-2019	/Racemization/TMA_Cat/PM6/TMA TMA	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-
	8-Oct-2019	/Racemization/TMA_Cat/PM6/GC_R GC_R	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-0.287457266542; Eh

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