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

Search

previous
1
...
9846
9847
9848
9849
9850
9851
9852
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jun-2024	/Layer/CeO₂ CeO₂-1l-17vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	25-Jun-2025	/Bulk+Functionals/PBE-soc PBE-soc	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 09:44:57) complex	Single point	DFT	-	-536.91225084; eV
	20-Jan-2026	/MDs/7.5nm/vacancy/shell0.05 wuff	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	20-Jan-2026	/MDs/7.5nm/vacancy/bulk0.05 sphere	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-2411-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-290.95216361; eV
	1-Jun-2024	/Layer/In₂O₃ In₂O₃(111)-3l	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Layer/In₂O₃ In₂O₃(111)-2l	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Layer/CeO₂ CeO₂-1l-0vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Layer/CeO₂ CeO₂-1l-2vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Layer/CeO₂ CeO₂-1l-1vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-

Results 98481-98490 of 103542 (Search time: 0.057 seconds).