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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Nov-2025/Xray_Minima 37Wang-Yeuk, KongGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDDEF2TZVPP-2432.98142652; Eh
thumbnail.jpeg8-Apr-2026/Isodesmic_equation 13Wang-Yeuk, KongGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDDEF2TZVPP-1859.28406373; Eh
thumbnail.jpeg19-Jan-2026pd_slab_constant_potential_bare_supercell_3x3_0_994Brennan-Pollak, Conorvasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complexSingle pointDFT--44.74093488; eV
thumbnail.jpeg19-Jan-2026pd_slab_constant_potential_o_2_1_006Brennan-Pollak, Conorvasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complexGeometry optimizationDFT--49.12950554; eV
thumbnail.jpeg19-Jan-2026pd_slab_constant_potential_h_6_0_994Brennan-Pollak, Conorvasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complexGeometry optimizationDFT--43.71065188; eV
thumbnail.jpeg19-Jan-2026pd_slab_constant_potential_o_2_dipoleBrennan-Pollak, Conorvasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complexGeometry optimizationDFT--41.81226879; eV
thumbnail.jpeg19-Jan-2026pd_bulk_16Brennan-Pollak, Conorvasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complexGeometry optimizationDFT--8.60754773; eV
thumbnail.jpeg19-Jan-2026pd_bulk_10Brennan-Pollak, Conorvasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complexGeometry optimizationDFT--8.60277814; eV
thumbnail.jpeg19-Jan-2026pd_bulk_6Brennan-Pollak, Conorvasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complexGeometry optimizationDFT--8.63438515; eV
thumbnail.jpeg19-Jan-2026pd_bulk_8Brennan-Pollak, Conorvasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complexGeometry optimizationDFT--8.61568595; eV
Results 392941-392950 of 397899 (Search time: 0.241 seconds).