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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-2Ce3-32_33	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.40727663; eV
	1-Mar-2022	Cu-2O-2Ce3-28_33	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.63148135; eV
	30-Jun-2023	Pd-3xN6-Ni-4xN6-3.95_02	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1970.42382163; eV
	30-Jun-2023	Pd-3xN6-Ni-4xN6-4.97_06	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1971.23388267; eV
	22-Dec-2022	/CO_CO-CO_ads Cu100_2Cl-H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-331.71636697; eV
	1-Mar-2022	Co-4O-2Ce3-31_33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-859.39942656; eV
	1-Mar-2022	Ag-3O-2Ce3-35_36	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.47084549; eV
	1-Mar-2022	Ag-3O-2Ce3-29_33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.49731506; eV
	1-Mar-2022	Cu-2O-2Ce3-33_35	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.63012685; eV
	1-Mar-2022	Cu-2O-2Ce3-30_32	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.49932672; eV

Results 70581-70590 of 104471 (Search time: 0.044 seconds).