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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/group3N/ir/111 ir-27N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-461.50105305; eV
	13-Dec-2024	/CN_vs_strain Cu100-4AD_nostrain-OCHCH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/AsMoW As01Mo05W06O39-3H-iso-17640	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.41358477; Eh
	13-Dec-2024	/CN_vs_strain Cu211_nostrain-OCHCH	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	13-Dec-2024	/CN_vs_strain Cu100-4AD_strain	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	13-Dec-2024	/CH4 Cu111-OCHCH_fs	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	13-Dec-2024	/CH4 Cu111-COCH2_ts	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 30 2024 14:56:07) complex	Geometry optimization	DFT	-	-
	13-Dec-2024	/CH4 Cu111-CHO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	13-Dec-2024	/CH4 Cu111-C	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/group3N/ir/111 ir-37N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-469.99483030; eV

Results 81501-81510 of 104124 (Search time: 0.048 seconds).