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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
11-Dec-2017	C72Cl3	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-23.35778389; Eh
14-May-2019	/1-2 CF-U2-quintet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.34268583; Eh
14-May-2019	/1-2 CF-U2-singlet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.88568947; Eh
13-Dec-2018	V18_18-0_OPT	Notario, Almudena	ADF; 2016	Geometry optimization	DFT	TZP	-19.79511607; Eh
13-Dec-2018	V18_16-2_OPT	Notario, Almudena	ADF; 2016	Geometry optimization	DFT	TZP	-
13-Dec-2018	V18_12-6_OPT	Notario, Almudena	ADF; 2016	Geometry optimization	DFT	TZP	-19.08635647; Eh
13-Dec-2018	V18_10-8_OPT	Notario, Almudena	ADF; 2016	Geometry optimization	DFT	TZP	-18.76280887; Eh
13-Dec-2018	V18_8-10_OPT	Notario, Almudena	ADF; 2016	Geometry optimization	DFT	TZP	-18.38877688; Eh
21-Dec-2018	/Th@C86_ipr11_Th_sites th-c86-ipr11-10	Roser, Morales	ADF; 2017	Geometry optimization Minimum	DFT	TZP	-27.98854954; Eh
21-Dec-2018	/Th@C86_ipr11_Th_sites th-c86-ipr11-9	Roser, Morales	ADF; 2017	Geometry optimization Minimum	DFT	TZP	-27.94210684; Eh

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