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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	/ACET/SPE B5B6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-1839.1736592; Eh
13-Sep-2021	da_c60_R-56	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-2481.1828758; Eh
3-Oct-2019	/C60ACET/SPE WILKINSON	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-3679.9782436; Eh
3-Oct-2019	/C60ACET/SPE PRODUCT_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-2441.392158; Eh
3-Oct-2019	/C60ACET/SPE C6A8_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-4048.3862242; Eh
3-Oct-2019	/C60ACET/SPE B6PA7P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-3011.8762592; Eh
3-Oct-2019	/C60ACET/SPE C6_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-4048.4223645; Eh
3-Oct-2019	/C60ACET/SPE C7_66	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-4048.5115702; Eh
3-Oct-2019	/C60ACET/SPE B5P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-3971.0176389; Eh
3-Oct-2019	/C60ACET/SPE C7P_66	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RM06L	cc-pVTZ	-3012.0207067; Eh

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