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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	TS_66_CONCERTED	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	-	-2785.21244452; Eh
3-Oct-2019	TS_55_CONCERTED	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	-	-2785.22568918; Eh
3-Oct-2019	/C60ACET/OPTFREQ B5	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	cc-pVDZ	-5084.57432455; 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
3-Oct-2019	/C60ACET/OPTFREQ B4PB5P	Artigas, Albert	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	cc-pVDZ	-3970.73552411; Eh
3-Oct-2019	/C60ACET/OPTFREQ B3B4_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	cc-pVDZ	-5007.15867776; Eh
3-Oct-2019	/C60ACET/OPTFREQ B4	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	cc-pVDZ	-5007.24180452; Eh
3-Oct-2019	/C60ACET/OPTFREQ A3P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	cc-pVDZ	-2798.09392815; Eh
12-Jun-2019	/OPTFREQ A4	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	cc-pVDZ	-3674.31017353; Eh
3-Oct-2019	/ACET/OPTFREQ A3P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	cc-pVDZ	-2798.09392815; Eh

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