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

Search

previous
1
...
2260
2261
2262
2263
2264
2265
2266
...
10196
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3-pos_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-844.41133041; eV
	3-Mar-2022	np_on_111-pris-np_3l_7x7_all	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-4279.15223022; eV
	3-Mar-2022	np_on_111-pris-np_3l_7x7_surf	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1828.48309679; eV
	3-Mar-2022	np_on_111-pt_ads-111_side	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-4282.53566172; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_29_30_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.76060085; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_28_29_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-747.04950559; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_28_31_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.65272340; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_29_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.36713574; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_28_29_31-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.99307211; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_29_32_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.75788957; eV

Results 22621-22630 of 101953 (Search time: 0.015 seconds).