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

Search

previous
1
...
225
226
227
228
229
230
231
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Apr-2020	SW-defect_twist-surf	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-3722.33360163; eV
	24-Apr-2020	SW-defect_twist-sub	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-3723.00078424; eV
	24-Apr-2020	schottky-defect_schot-dis	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-3711.36515398; eV
	24-Apr-2020	schottky-defect_schot-pris	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-3705.61572809; eV
	24-Apr-2020	schottky-defect_schot-sub	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-3713.33717347; eV
	24-Apr-2020	Pd111_co_rel	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-210.00094406; eV
	24-Apr-2020	Pd111-Bsub-00	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-217.91483058; eV
	24-Apr-2020	Pd111-Bsub-01	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-218.48202091; eV
	24-Apr-2020	Pd111-Bsub-02	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-218.23710224; eV
	24-Apr-2020	Pd111-Bsub-03	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-218.37168249; eV

Results 2271-2280 of 2304 (Search time: 0.003 seconds).