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

Search

previous
1
...
2218
2219
2220
2221
2222
2223
2224
...
10196
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2022	Cu-2O-1Ce3-34	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.63485325; eV
	30-Jun-2023	Pd-3xN6-Ni-4xN6-3.55_01	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1969.59903887; eV
	30-Jun-2023	Pd-3xN6-Ni-4xN6-4.97_05	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1970.89345804; eV
	30-Jun-2023	Pd-3xN6-Ni-4xN6-6.06_09	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1970.72846749; eV
	22-Dec-2022	/CO_CO-CO_ads Cu100_6Cl-H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-347.46952938; eV
	1-Mar-2022	Ag-3O-2Ce3-33_34	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.49981466; eV
	1-Mar-2022	Cu-3O-1Ce3-31	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-855.23513544; eV
	1-Mar-2022	Ag-4O-1Ce3-32	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.28636319; eV
	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-2Ce3-31_32	Geiger, Julian	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	DFT	-	-855.57622574; eV

Results 22201-22210 of 101953 (Search time: 0.016 seconds).