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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/group2/ni/111 ni-4811-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-323.88566165; eV
	10-May-2016	/full_capsule_optimisations C76_SBSB	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-84.26642804; Eh
	10-May-2016	/full_capsule_optimisations C78_AAAA	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-84.90622719; Eh
	28-Nov-2017	ol-AgCu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-163.03889863; eV
	28-Nov-2017	ol-AgCd-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-109.89504964; eV
	28-Nov-2017	ol-AgCd-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-103.89521177; eV
	28-Nov-2017	ol-AgCo-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-169.29950246; eV
	10-May-2016	/full_capsule_optimisations C78_AASB	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-84.91570571; Eh
	10-May-2016	/full_capsule_optimisations C78_ABAB	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-84.93304813; Eh
	10-May-2016	/full_capsule_optimisations C84_ABSA	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-86.93645548; Eh

Results 33731-33740 of 104079 (Search time: 0.023 seconds).