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

Search

previous
1
2
3
4
...
11
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Jun-2021	/surfaces Pd(111)-In-Pd-In	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-315.03664562; eV
	6-Jun-2021	/redCO2_high-coverage Pd(111)-CO-075ML	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-519.40672778; eV
	6-Jun-2021	/surfaces Pd(111)-1In-surf-1In-NSA	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-314.86573046; eV
	6-Jun-2021	/surfaces Pd(111)-In-surf	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-315.43254399; eV
	6-Jun-2021	/redCO2_high-coverage Pd(111)-In-surf-CO-075ML	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-517.79747260; eV
	6-Jun-2021	/redCO2 Pd(111)-CO-fcc-fixed-surf	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-338.58416678; eV
	6-Jun-2021	/redCO2 Pd(111)-In-surf-CO-fcc-3Pd-1	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-338.56220931; eV
	6-Jun-2021	/redCO2 InPd3(100)-CO-hollow-sub-Pd	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-328.35450829; eV
	6-Jun-2021	/redCO2 Pd(111)-COOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-348.23227182; eV
	6-Jun-2021	/redCO2 InPd3(100)-COOH-2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-337.86713762; eV

Results 1-10 of 102 (Search time: 0.001 seconds).