ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	dir_Ag140_6oxy_4fold,_pDOS	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Single point	DFT	-	-380.12313964; 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	1oxy,_dir_Ag140_GCN6_95	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-350.86866340; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN6_67	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.00462431; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN5_95	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-350.98573320; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN5_0	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.29322570; eV
	24-Oct-2023	7oxy,_dir_Ag140_70xy_facet_centered	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-385.41119182; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN6_89	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.00523206; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN2_92_4_fold	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.63226992; eV
	24-Oct-2023	dir_Ag140_6oxy_4fold,_bader	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Single point	DFT	-	-380.12313964; eV

Results 1-10 of 34 (Search time: 0.001 seconds).