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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Nov-2025	/sulfate_proj/Cu/phonopy_simulation/c2/CHCO/phonopy 0005_002	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-
	16-Jan-2026	/FG_dataset/aromatics2/zn/0001 zn-87N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-160.64988633; eV
	16-Jan-2026	/FG_dataset/group4/ir/111 ir-3632-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-477.92165016; eV
	19-Mar-2026	/PMo P01Mo09O34-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.27663160; Eh
	19-Mar-2026	/PMo P01Mo11O39-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.21374610; Eh
	19-Mar-2026	/PMo P01Mo03O13-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.34523774; Eh
	19-Mar-2026	/PMo P01Mo06O22-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.00695467; Eh
	19-Mar-2026	/PMo P02Mo05O23-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.54073471; Eh
	19-Mar-2026	/PMo P00Mo02O07-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-2.95895922; Eh
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_2/phonopy/disp_011 disp_011	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-121.36234285; eV

Results 89411-89420 of 103542 (Search time: 0.056 seconds).