ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
4
5
6
7
8
9
10
...
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_9_ab_bond_2_index_124_relax_-2269_023	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2269.02322345; eV
	27-Dec-2023	Figure2_Zr_cn_9_ab_bond_1_index_129_relax_-2269_012	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-2269.01235466; eV
	27-Dec-2023	FigureA1_nano_id88_046_relax_-763_306	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-763.30645786; eV
	27-Dec-2023	FigureA1_nano_id171_009_relax_-743_183	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-743.18275956; eV
	27-Dec-2023	FigureA1_nano_id152_040_relax_-749_947	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-749.94733186; eV
	27-Dec-2023	FigureA1_nano_id153_012_relax_-747_379	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-747.37864788; 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_id95_055_relax_-758_341	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-758.34092308; eV
	27-Dec-2023	FigureA1_nano_id181_059_relax_-760_604	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-760.60412090; eV
	27-Dec-2023	FigureA1_nano_id18_061_relax_-754_627	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-754.62686565; eV

Results 61-70 of 128 (Search time: 0.002 seconds).