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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Dec-2023	FigureA1_nano_id9_077_relax_-754_884	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-754.88377221; eV
	27-Dec-2023	FigureA1_nano_id113_064_relax_-761_482	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-761.48159603; eV
	27-Dec-2023	FigureA1_nano_id114_063_relax_-761_101	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:39:51) gamma-only	Geometry optimization	DFT	-	-761.10061853; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn9_pt-bond8_ni-bond1_zr-bond0_relax_-2275	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2275.65168918; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn9_pt-bond7_ni-bond2_zr-bond0_relax_-2275	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2275.59174970; eV
	27-Dec-2023	Figure4_Pt404_relax_-2257_994	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2257.99374595; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn12_pt-bond4_ni-bond7_zr-bond1_relax_-227	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2274.30207450; eV
	27-Dec-2023	Figure3_Pt303Ni100Zr2_cn12_pt-bond4_ni-bond8_zr-bond0_relax_-227	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-2274.95931090; eV

Results 121-128 of 128 (Search time: 0.002 seconds).