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

Search

previous
1
...
9012
9013
9014
9015
9016
9017
9018
...
10353
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_024 disp_024	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.16158569; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_026 disp_026	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.16227830; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_027 disp_027	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.15647422; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_028 disp_028	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.15969384; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_022 disp_022	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.15755521; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/Cu2WO4/phonopy/disp_025 disp_025	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-5036.15596175; eV
	19-Mar-2026	/AsMoW As01Mo05W06O39-1H-iso-21772824	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.41811997; Eh
	19-Mar-2026	/AsMoW As01Mo07W05O40-0H-iso-199722672	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.48356554; Eh
	19-Mar-2026	/AsMoW As01Mo05W06O39-3H-iso-15153	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.41238879; Eh
	19-Mar-2026	/Ta Ta10O28-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.24359822; Eh

Results 90141-90150 of 103529 (Search time: 0.05 seconds).