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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/aromatics2/au/111 au-8611-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-251.81495805; eV
	16-Jan-2026	/FG_dataset/amides/ru/0001 ru-37X4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-492.17625530; eV
	19-Mar-2026	/Ta Ta24O72-09H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-34.38147836; Eh
	19-Mar-2026	/Ta Ta08O25-4H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-11.95911228; Eh
	19-Mar-2026	/Ta Ta06O19-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.12272397; Eh
	19-Mar-2026	/Ta Ta08O25-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-11.92379385; Eh
	19-Mar-2026	/Ta Ta07O22-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-10.40665875; Eh
	26-Nov-2025	/sulfate_proj/Cu/phonopy_simulation/c2/CHCO/phonopy/022 022	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/au/111 au-87N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-257.74721849; eV
	16-Jan-2026	/FG_dataset/group4/ag/111 ag-3621-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-188.86974164; eV

Results 90831-90840 of 103529 (Search time: 0.051 seconds).