ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
7
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	1oxy,_dir_Ag140_GCN5_08	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-350.98788233; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN4_39_edge	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.29211106; eV
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_prova3	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-52.82880785; eV
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_oppositefacets	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-53.15686078; eV
	24-Oct-2023	O2,_dir_Ag20_abs9	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-52.16518780; eV
	24-Oct-2023	O2,_dir_Ag20_abs5	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-51.85824087; eV
	24-Oct-2023	O2,_dir_Ag20_abs2_edges	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-51.98596803; eV
	24-Oct-2023	1oxy,_dir_Ag20_GCN_3_14	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-47.83606396; eV
	24-Oct-2023	1oxy,_dir_Ag20_GCN_2_05	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-47.44927904; eV
	24-Oct-2023	1oxy,_dir_Ag20_GCN_1_5	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-45.89290534; eV

Results 31-40 of 67 (Search time: 0.001 seconds).