ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
3054
3055
3056
3057
3058
3059
3060
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2022	/redCO2 OD-Cu-255-H-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1877.33689390; eV
	1-Mar-2022	Au-2O-2Ce3-28_34	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-854.62840357; eV
	1-Mar-2022	Ag-4O-2Ce3-28_34	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-852.72491913; eV
	1-Mar-2022	Ag-4O-2Ce3-28_31	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-852.87231617; eV
	1-Mar-2022	Ag-4O-2Ce3-29_30	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-852.91275248; eV
	1-Mar-2022	Ag-4O-2Ce3-29_34	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-852.84361899; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3_subspol-pos_20_26-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.47837394; eV
	1-Mar-2022	Ag-4O-2Ce3-34_35	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-852.74370316; eV
	1-Mar-2022	Au-2O-1Ce3-30	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-854.47220475; eV
	1-Mar-2022	Ag-4O-2Ce3-30_35	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-852.91538774; eV

Results 30561-30570 of 104512 (Search time: 0.017 seconds).