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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
5-Dec-2016	/th@c82_ipr8_redox th@c82_ipr8_red1	Roser, Morales	ADF; 2013; 01	Geometry optimization	DFT	TZP	-26.64697629; Eh
5-Dec-2016	/th@c82_ipr8_redox th@c82_ipr8_ox1	Roser, Morales	ADF; 2013; 01	Geometry optimization	DFT	TZP	-26.32829118; Eh
5-Dec-2016	th@c82_app1_39706	Roser, Morales	ADF; 2013; 01	Geometry optimization	DFT	TZP	-26.44428706; Eh
5-Dec-2016	th@c82_ipr6	Roser, Morales	ADF; 2013; 01	Geometry optimization	DFT	TZP	-26.49173517; Eh
5-Dec-2016	th@c82_ipr5	Roser, Morales	ADF; 2013; 01	Geometry optimization	DFT	TZP	-26.49249781; Eh
5-Dec-2016	/th@c82_ipr8_UV-Vis-NIR th@c82_ipr8_UV	Roser, Morales	ADF; 2013; 01	Single point	DFT	TZP	-
5-Dec-2016	/th@c82_ipr8_redox th@c82_ipr8_neutral	Roser, Morales	ADF; 2013; 01	Geometry optimization	DFT	TZP	-26.51495323; Eh
5-Dec-2016	th@c82_ipr8	Roser, Morales	ADF; 2013; 01	Geometry optimization	DFT	TZP	-26.50297963; Eh
5-Dec-2016	/th@c82_ipr8_frequencies th@c82_ipr8_freq	Roser, Morales	ADF; 2013; 01	Single point Minimum	DFT	TZP	-

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