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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Dec-2023Figure2_Zr_cn_12_ab_bond_6_index_106_relax_-2269_929Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--2269.92913573; eV
thumbnail.jpeg27-Dec-2023Figure2_Zr_cn_6_ab_bond_0_index_374_relax_-2268_922Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--2268.92210780; eV
thumbnail.jpeg27-Dec-2023Figure2_Zr_cn_12_ab_bond_7_index_191_relax_-2269_229Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--2269.22878423; eV
thumbnail.jpeg27-Dec-2023Figure2_Zr_cn_12_ab_bond_8_index_369_relax_-2269_086Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--2269.08623081; eV
thumbnail.jpeg27-Dec-2023Figure2_Zr_cn_12_ab_bond_4_index_103_relax_-2269_357Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--2269.35666325; eV
thumbnail.jpeg27-Dec-2023Figure2_Zr_cn_12_ab_bond_5_index_100_relax_-2269_912Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--2269.91180068; eV
thumbnail.jpeg27-Dec-2023Ni100Pt305_-2264_298Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-onlyGeometry optimizationDFT--2264.29788819; eV
Results 291-297 of 297 (Search time: 0.001 seconds).