ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
3
4
5
6
7
8
9
...
13
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Dec-2023	FigureA1_nano_id144_006_relax_-744_032	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-744.03182227; eV
	27-Dec-2023	FigureA1_nano_id143_017_relax_-746_604	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-746.60437903; eV
	27-Dec-2023	FigureA1_nano_id145_002_relax_-745_092	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-745.09238213; eV
	27-Dec-2023	FigureA1_nano_id141_032_relax_-747_954	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-747.95437271; eV
	27-Dec-2023	FigureA1_nano_id142_003_relax_-744_014	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-744.01388199; eV
	27-Dec-2023	FigureA1_nano_id140_021_relax_-744_403	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-744.40286547; eV
	27-Dec-2023	FigureA1_nano_id1_001_relax_-753_202	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-753.20153543; eV
	27-Dec-2023	FigureA1_nano_id96_053_relax_-768_041	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-768.04114810; eV
	27-Dec-2023	FigureA1_nano_id89_056_relax_-767_772	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-767.77177904; eV
	27-Dec-2023	FigureA1_nano_id91_052_relax_-764_687	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-764.68738706; eV

Results 51-60 of 128 (Search time: 0.0 seconds).