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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2023	/Minima_Calculations/W02O7H1_int W02O7H1_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-3.06055492; Eh
	1-Mar-2023	/Minima_Calculations/W04O13H1_int3 W04O13H1_int3	Petrus, Enric	ADF; 2019	Single point	PBE	TZP	-
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N2/Ni_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	-	-653.97963682; eV
	1-Mar-2023	/Minima_Calculations/H5O2 H5O2	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-CuCO-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-571.63122315; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-CuCO-E-p02	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-571.71495686; eV
	14-Feb-2022	/intermediates-electric-field Cu(711)-1x6-H-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-341.69469545; eV
	1-Mar-2023	/Minima_Calculations/W03O11H2_intwlineal W03O11H2_intwlineal	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-4.87324156; Eh
	1-Mar-2023	/Minima_Calculations/W04O14H1_int W04O14H1_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.17176154; Eh
	1-Mar-2023	/Minima_Calculations/W01O6H6_int W01O6H6_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-2.84818052; Eh

Results 29451-29460 of 101953 (Search time: 0.027 seconds).