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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	/C60ACET/SPE B5PP	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-2934.5378952; Eh
3-Oct-2019	/ACET/SPE B6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1839.2051095; Eh
3-Oct-2019	TS1_56d_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	-	-2785.22389201; Eh
3-Oct-2019	/C60ACET/OPTFREQ B4PB5P	Artigas, Albert	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	cc-pVDZ	-3970.73552411; Eh
13-Sep-2021	da_c60_R-66	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-2481.1844256; Eh
3-Oct-2019	TS1_56d_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	-	-2785.22537826; 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
3-Oct-2019	/C60ACET/SPE B5P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-3971.0175093; Eh

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