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

Search

previous
1
...
8421
8422
8423
8424
8425
8426
8427
...
10408
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/Surfaces/112/phonopy/disp_127 disp_127	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.62191008; eV
	16-Jan-2026	/FG_dataset/group3N/ir/111 ir-49N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-486.97503880; eV
	19-Mar-2026	/AsMoW As01Mo06W05O39-2H-iso-19981516	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.35851848; Eh
	19-Mar-2026	/AsMoW As01Mo04W02O22-0H-iso-246	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-8.98613214; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_094 disp_094	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61012064; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_126 disp_126	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.62435714; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_246 disp_246	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60961687; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_007 disp_007	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61217815; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_170 disp_170	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60865573; eV
	20-Jun-2025	/Mn_proj/Surfaces/100 100	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-

Results 84231-84240 of 104079 (Search time: 0.05 seconds).