ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
16
17
18
19
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	4oxy,_dir_Ag140_4oxy_4fold_comb2	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-369.09272094; eV
	24-Oct-2023	3oxy,_dir_Ag140_3oxy_4fold_inline	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-363.41503212; eV
	24-Oct-2023	3oxy,_dir_Ag140_3oxy_4fold_close	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-363.52908468; eV
	24-Oct-2023	6oxy,_dir_Ag140_3fold_central_edges	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-379.00532604; eV
	24-Oct-2023	2oxy,_dir_Ag140_2oxy_fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-357.50350206; eV
	24-Oct-2023	6oxy,_dir_Ag140_6oxy_3fold_edges	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-379.01602115; eV
	24-Oct-2023	4oxy,_dir_Ag140_4oxy_4fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-369.27127944; eV
	24-Oct-2023	5oxy,_dir_Ag140_5fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-374.76104082; eV

Results 181-188 of 188 (Search time: 0.001 seconds).