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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Feb-2026	/Interfaces-MLIP/DFT-single-points/CeO₂-M/CeO₂-Ni CeO₂-Ni-18vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-573.50931185; eV
	19-Mar-2026	/PMoW P01Mo03W06O34-3H-iso-241993	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.66234619; Eh
	19-Mar-2026	/PMoW P01Mo04W05O31-0H-iso-204961	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.91776640; Eh
	19-Mar-2026	/PMoW P01Mo01W04O19-2H-iso-96	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-7.96457344; Eh
	19-Mar-2026	/PMoW P00Mo02W01O09-2H-iso-2	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.47472775; Eh
	19-Mar-2026	/PMoW P00Mo00W01O04-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.79933071; Eh
	20-Jun-2025	/Mn_proj/Molecules/I2/scan/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-48.46664741; eV
	20-Jun-2025	/Mn_proj/Molecules/I2/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-2.67128083; eV
	20-Jun-2025	/Mn_proj/Molecules/I2/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-2.67383533; eV
	20-Jun-2025	/Mn_proj/Molecules/IO4_/phonopy/disp_036 disp_036	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-51.26864261; eV

Results 97631-97640 of 103542 (Search time: 0.085 seconds).