ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
9
10
11
12
13
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Dec-2023	Figure2_Zr_cn_12_ab_bond_5_index_100_relax_-2269_912	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2269.91180068; eV
	27-Dec-2023	Ni100Pt305_-2264_298	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2264.29788819; eV
	27-Dec-2023	FigureA1_nano_id166_026_relax_-747_366	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-747.36597758; eV
	27-Dec-2023	Figure1_Pt305Ni100_-2264_298	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2264.29788819; eV
	27-Dec-2023	FigureA1_nano_id170_027_relax_-744_264	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-744.26359501; eV
	27-Dec-2023	FigureA1_nano_id169_024_relax_-753_371	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-753.37097483; eV
	27-Dec-2023	FigureA1_nano_id148_034_relax_-742_638	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-742.63800931; eV
	27-Dec-2023	FigureA1_nano_id149_047_relax_-749_372	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-749.37177070; 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
	27-Dec-2023	FigureA1_nano_id90_050_relax_-761_991	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-761.99059395; eV

Results 111-120 of 128 (Search time: 0.002 seconds).