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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/BP86/PMo P00Mo03O10-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	6-Sep-2024	/BP86/PMo P01Mo00O04-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	16-Jan-2026	/FG_dataset/group3N/zn/0001 zn-4bN5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-139.83751460; eV
	16-Jan-2026	/FG_dataset/group3N/zn/0001 zn-4bN3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-140.21193665; eV
	16-Jan-2026	/FG_dataset/group3N/zn/0001 zn-4bN4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-140.28121353; eV
	16-Jan-2026	/FG_dataset/group3N/zn/0001 zn-37N4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-114.55513389; eV
	16-Jan-2026	/FG_dataset/aromatics/pd/111 pd-6611-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-326.14924381; eV
	16-Jan-2026	/FG_dataset/aromatics/pd/111 pd-6601-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-318.95834340; eV
	6-Sep-2024	/BP86/PMo P01Mo09O31-3H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	6-Sep-2024	/B3LYP/Mo Mo02O10-6H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-

Results 81961-81970 of 104124 (Search time: 0.048 seconds).