Browsing by Author Chuong Nguyën, Huu

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Oct-2018a1_cleanChuong Nguyën, HuuQuantumEspresso; 6.1Single pointpbeUltrasoft-196888.835360; eV
thumbnail.jpeg30-Oct-2018a1_O1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-197755.652585; eV
thumbnail.jpeg30-Oct-2018a1_OH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-197792.552328; eV
thumbnail.jpeg30-Oct-2018a1_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-198660.250974; eV
Login required15-Nov-2021Au-CoO-CO2_991Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--809.43072397; eV
thumbnail.jpeg5-Feb-2020Au100Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--8.82101284; eV
thumbnail.jpeg10-Feb-2020Au111Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--12.43767209; eV
Login required15-Nov-2021Au_111Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--
Login required15-Nov-2021Au_CoO_optChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--
Login required15-Nov-2021Au_CoOFe_optChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--
Login required13-Dec-2021AuCoO-2_90COChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--368.83507511; eV
Login required13-Dec-2021AuCoO-3_15COChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--363.91872057; eV
Login required23-Nov-2021AuCoO2_90H2OChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--
Login required15-Nov-2021AuCoO5_98Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--
Login required15-Nov-2021AuCoO5_98small_ZChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--
Login required15-Nov-2021AuCoOmedChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--403.33273487; eV
Login required15-Nov-2021AuCoOmed5_98_ZChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--
Login required15-Nov-2021AuCoOmed_2Ovac_ZChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--
Login required15-Nov-2021AuCoOsmallChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--
thumbnail.jpeg27-Apr-2020AuIslandChuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyGeometry optimizationDFT--534.57858600; eV