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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2022	Cu-2O-2Ce3-30_36	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.47915875; eV
	1-Mar-2022	Cu-2O-2Ce3-31_36	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.57393513; eV
	16-Jan-2026	/FG_dataset/amidines/ni/111 ni-4aZd-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-341.77617705; eV
	16-Jan-2026	/FG_dataset/group2/pd/111 pd-2411-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-281.12663629; eV
	19-Mar-2026	/AsMo As00Mo01O04-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.72573622; Eh
	19-Mar-2026	/AsMo As00Mo02O07-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-2.98115034; Eh
	1-Mar-2022	Co-4O-2Ce3-28_33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.24882449; eV
	1-Mar-2022	Co-4O-2Ce3-30_31	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.38851366; eV
	1-Mar-2022	Co-4O-2Ce3-29_35	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.20637775; eV
	1-Mar-2022	Co-4O-2Ce3-28_35	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-858.84053731; eV

Results 30311-30320 of 104512 (Search time: 0.017 seconds).