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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/gas 49N5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-77.40077133; eV
	16-Jan-2026	/FG_dataset/group3N/gas 49N6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-77.11327330; eV
	16-Jan-2026	/FG_dataset/group3N/gas 49N4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-77.29644224; eV
	19-Mar-2026	/AsMoW As01Mo08W01O34-0H-iso-46200	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.09004516; Eh
	1-Mar-2022	II9_mOS_2	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-884.81592788; eV
	1-Mar-2022	II10_TS_mOS_2	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-884.63047978; eV
	1-Mar-2022	II11_mOS_0	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex	Geometry optimization	DFT	-	-862.42794155; eV
	1-Mar-2022	0-33	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only	Geometry optimization	DFT	-	-872.42239648; eV
	1-Mar-2022	0-30	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only	Geometry optimization	DFT	-	-872.30385001; eV
	1-Mar-2022	0-31	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only	Geometry optimization	DFT	-	-872.70648214; eV

Results 90021-90030 of 103542 (Search time: 0.048 seconds).