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

Search

previous
1
...
492
493
494
495
496
497
498
...
10196
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/CuWO4_3/surf/001_a 001_a	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-726.49070965; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/011_a 011_a	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-717.80281854; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/101 101	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-729.10991944; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/110 110	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-730.55432020; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/surf/111 111	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-712.73151290; eV
	6-Sep-2024	/M06L/PMo P01Mo09O31-3H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/PMo P01Mo03O13-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/PMo P01Mo09O31-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/PMo P01Mo09O34-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/PMo P01Mo03O13-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-

Results 4941-4950 of 101953 (Search time: 0.007 seconds).