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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Apr-2025	/strained100 100_+5_0strain-2CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	8-Apr-2025	/strained100 100_-5_0strain	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/100/CO/B B	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/group3N/rh/111 rh-15N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-370.65262036; eV
	19-Mar-2026	/AsMoW As01Mo07W04O39-3H-iso-14653504	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.28730582; Eh
	19-Mar-2026	/AsMoW As01Mo08W04O40-1H-iso-175635648	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.35884828; Eh
	19-Mar-2026	/AsMoW As01Mo08W04O40-1H-iso-159748560	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.36401139; Eh
	19-Mar-2026	/AsMoW As01Mo04W08O40-0H-iso-322156818	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.66903998; Eh
	19-Mar-2026	/AsMoW As01Mo07W02O34-0H-iso-90872	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.15376486; Eh
	19-Mar-2026	/AsMoW As01Mo05W01O22-0H-iso-152	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-8.93137928; Eh

Results 88021-88030 of 103542 (Search time: 0.056 seconds).