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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
13-Dec-2018	V18_16-2_OPT	Notario, Almudena	ADF; 2016	Geometry optimization	DFT	TZP	-
17-Jul-2020	/U2O U2O_@Ih(7)-C80	Rosello, Yannick	ADF; 2017	Geometry optimization	PBE0 == Not Default ==	TZP	-33.20251251; Eh
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-Jul-2020	/U2N_complex/U2N_neutral U2N_neutral	Rosello, Yannick	ADF; 2019; 302	Geometry optimization	PBE0 == Not Default ==	TZP	-50.32921776; Eh
21-Jul-2020	/U2N_complex/U2N_cation U2N_cation	Rosello, Yannick	ADF; 2017	Geometry optimization	PBE0 == Not Default ==	TZP	-50.11521345; Eh
21-Jul-2020	/U2N_complex/U2N_anion U2N_anion	Rosello, Yannick	ADF; 2017	Geometry optimization	PBE0 == Not Default ==	TZP	-50.35258961; Eh
21-Jul-2016	Sc2C2@Cs(hept)-C88_orientation_1	Abella, Laura	ADF; 2012; 01	Geometry optimization	DFT	TZP	-29.12107555; Eh
23-Apr-2018	/ADF17_calculations/electrochemistry Siii_neutral	Roser, Morales	ADF; 2017	Geometry optimization	DFT	TZP	-26.41488913; Eh

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