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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Feb-2022	/intermediates-electric-field Cu(711)-1x6-phen-E-n03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-648.74615195; eV
	14-Feb-2022	/intermediates-electric-field Cu(711)-1x6-phen-E-n02	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-648.40515051; eV
	1-Mar-2023	/Minima_Calculations/W02O7H2_int/W02O7H2_int2 W02O7H2_int2	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-3.00719458; Eh
	1-Mar-2023	/Minima_Calculations/W03O10H2_intlineal W03O10H2_intlineal	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-4.28198562; Eh
	1-Mar-2023	/Minima_Calculations/W05O16H0_int W05O16H0_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.86659771; Eh
	1-Mar-2023	/Minima_Calculations/W01O4H0_int W01O4H0_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-1.79932939; Eh
	1-Mar-2023	/Minima_Calculations/W04O13H2_int3 W04O13H2_int3	Petrus, Enric	ADF; 2019	Single point	PBE	TZP	-
	31-Jul-2023	/M_N_SACs/M_tr_C4N1_C5N0/Pd_tr_C4N1_C5N0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-654.70993416; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N1_C5N0/Cd_tr_C4N1_C5N0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-651.28462252; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N2/Co_tr_C4N0_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-655.51840388; eV

Results 29011-29020 of 101953 (Search time: 0.019 seconds).