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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Jun-2019	/SPE TS_A53AA_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	-	-1531.1635467; Eh
12-Jun-2019	/SPE TS_A3PPA4P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.513286; Eh
12-Jun-2019	/SPE TS_A3A4P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4322716; Eh
12-Jun-2019	/SPE TS_A4PA5P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5072232; Eh
12-Jun-2019	/SPE TS_A4A5P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.4647725; Eh
12-Jun-2019	/SPE TS_A4PA5P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5094078; Eh
12-Jun-2019	/SPE TS_A3PB1	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.5590763; Eh
12-Jun-2019	/SPE TS_A53AA_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	-	-1531.1615251; Eh
12-Jun-2019	/OPTFREQ TS_A4PA5P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.15249285; Eh
12-Jun-2019	/OPTFREQ TS_A4A5P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	cc-pVDZ	-4020.10393955; Eh

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