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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
31-Jan-2019	/OPBE tz2p_Fe_IInc2co_1	Swart, Marcel	ADF; 2009; 01	Single point	DFT	TZ2P	-53.47644936; eV
22-Jul-2017	/L-N2Me2/STEP_1 Freq_step1_M04_S12g	Angelone, Davide	ADF; 2013; 01	Single point TS	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_5 SP_step5e_M02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
31-Jan-2019	/OPBE tz2p_Fe_IInc2co_3	Swart, Marcel	ADF; 2009; 01	Single point	DFT	TZ2P	-54.97480634; eV
31-Jan-2019	Water01	Swart, Marcel	ADF; 2018	Geometry optimization	DFT	DZ	-
11-Nov-2019	Complex_2_HS_bp86	Vlahovic, Filip	ADF; 2013; 01	Single point Quild	DFT	TZP; DZP	-
22-Jul-2017	/L-N2Me2/STEP_3_TS34 SP_TS34_M02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
22-Jul-2017	/L-N2Me2/STEP_2_TS23 SP_TS23_M02_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-
18-Nov-2019	Ti_d5d_EDA	Vlahovic, Filip	ADF; 2013; 01	Single point	DFT	-	-
22-Jul-2017	SP_intradiol-product_S12g	Angelone, Davide	ADF; 2016	Single point	DFT	TZ2P	-

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