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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Extra_Calculations/TS_PM6 TS_PM6	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	-	-0.965854689372; Eh
	24-Jul-2019	/pm6/propylene_carbonate ts2	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	VSTO-6G ZDO	-0.379602736796; Eh
	24-Jul-2019	/pm6/propylene_carbonate ts1	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	VSTO-6G ZDO	-0.348540700327; Eh
	24-Jul-2019	/pm6/toluene ts2	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	VSTO-6G ZDO	-0.351872450473; Eh
	24-Jul-2019	/pm6/toluene ts1	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	VSTO-6G ZDO	-0.320977727745; Eh
	10-Jan-2020	ts1	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	VSTO-6G ZDO	-0.348540700327; Eh
	10-Jan-2020	ts2	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	VSTO-6G ZDO	-0.379602736796; Eh
	10-Jan-2020	TS2_PM6_tol	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	VSTO-6G ZDO	-0.237927384456; Eh
	10-Jan-2020	TS1_PM6_tol	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	VSTO-6G ZDO	-0.214587867258; Eh
	8-Oct-2019	/Racemization/TMA_Cat/PM6/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPM6	VSTO-6G ZDO	-0.298806546859; Eh

Results 1-10 of 15 (Search time: 0.002 seconds).