ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
362
363
364
365
366
367
368
...
10196
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jun-2025	/Mn_proj/Rec_MnOBr/IO4/ad/ver ver	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15799.66745953; eV
	6-Sep-2024	/M06L/Mo Mo06O27-14H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/Mo Mo05O17-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/Mo Mo05O17-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c2_26/Pt_Fe_N_din6_as_c2_26 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-634.91980632; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c2_34/Ir_Fe_N_din6_as_c2_34 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-637.28615045; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c4_3456/Fe_Fe_N_din6_as_c4_3456 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-636.63241641; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c4_3456/Fe_Fe_N_din6_as_c4_3456 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-636.63241614; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c4_c/Cd_Fe_N_din4_x2_c4_c dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-628.18435387; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c0/Fe_Fe_N_din4_x2_c0 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-639.05259465; eV

Results 3641-3650 of 101953 (Search time: 0.005 seconds).