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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/c1/CH2OH/phonopy 0012_002	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.17908753; eV
	26-Nov-2025	/sulfate_proj/Cu/phonopy_simulation/c1/CH2OH/phonopy 0013_001	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.17750579; eV
	16-Jan-2026	/FG_dataset/group4/cu/111 cu-4823-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-251.18483019; eV
	16-Jan-2026	/FG_dataset/group4/cu/111 cu-4824-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-251.31109462; eV
	16-Jan-2026	/FG_dataset/aromatics2/ag/111 ag-87N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/aromatics2/gas a801	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/AsMoW As01Mo05W06O39-3H-iso-15410	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.41185034; Eh
	19-Mar-2026	/AsMoW As01Mo02W07O34-1H-iso-480	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.51358838; Eh
	8-Apr-2025	/Reactivity O5__sphere50-3-OCHCH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	26-Nov-2025	/sulfate_proj/Cu/phonopy_simulation/c1/CH2OH/phonopy/004 004	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-152.16761872; eV

Results 91531-91540 of 103928 (Search time: 0.044 seconds).