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

Search

previous
1
...
2309
2310
2311
2312
2313
2314
2315
...
10195
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_28_31_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.27154904; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_29_34_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.05826778; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_30_34_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.56131281; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_30_31_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.69963896; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_29_30_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.04350442; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_29_31_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.13547536; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_28_33_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-846.91691335; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_30_34_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.19024282; eV
	6-Dec-2022	/Carbon_Nitride melon-2D-H	Nikačević, Pavle	vasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complex	Geometry optimization	DFT	-	-1660.30378744; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_28_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.16779241; eV

Results 23111-23120 of 101944 (Search time: 0.014 seconds).