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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Jul-2018	/Second_Set/4A 4A	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-
22-Jul-2018	/Second_Set/6A 6A	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-
22-Jul-2018	/Second_Set/7B 7B	Petrus, Enric	ADF; 2016	Geometry optimization TS	DFT	TZP	-
22-Jul-2018	/Second_Set/no3_oh_o2 no3_oh_o2	Petrus, Enric	ADF; 2016	Geometry optimization Minimum	DFT	TZP	-
22-Jul-2018	/Second_Set/no3_o2 no3_o2	Petrus, Enric	ADF; 2016	Geometry optimization TS	DFT	TZP	-
22-Jul-2018	/ExcitedState/FrankCondon FrankCondon	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-
22-Jul-2018	/ExcitedState/6S_State 6S_State	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
22-Jul-2018	/ExcitedState/2S_State 2S_State	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
22-Jul-2018	/ExcitedState/1T_State 1T_State	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-3.84886214; Eh
22-Jul-2018	/ExcitedState/10S_State 10S_State	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-

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