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Browsing by Author Tangpakonsab, Parinya

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Showing results 1 to 20 of 42  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Apr-2023/Bare_CuO_111_surface Bare_CuO_111_surfaceTangpakonsab, Parinyavasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complexN/ADFT--322.22229899; eV
thumbnail.jpeg4-Apr-2023/CO_ads CO_ads_on_Cu+Tangpakonsab, Parinyavasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complexN/ADFT--330.92663661; eV
thumbnail.jpeg4-Apr-2023/CO_ads CO_ads_on_Cu0Tangpakonsab, Parinyavasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complexN/ADFT--301.85255154; eV
thumbnail.jpeg4-Apr-2023/CO_ads CO_ads_on_Cu2+Tangpakonsab, Parinyavasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complexN/ADFT--337.62041148; eV
thumbnail.jpeg30-Jan-2025/CO_oxidation 1Tangpakonsab, Parinyavasp; 6.4.1; 05Apr23 (build May 23 2023 13:30:57) complexSingle pointDFT--399.87822314; eV
thumbnail.jpeg30-Jan-2025/CO_oxidation 2Tangpakonsab, Parinyavasp; 6.4.1; 05Apr23 (build May 23 2023 13:30:57) complexSingle pointDFT--416.04826611; eV
thumbnail.jpeg30-Jan-2025/CO_oxidation 3_tsTangpakonsab, Parinyavasp; 6.2.1; 16May21 (build Mar 26 2024 00:22:47) complexSingle pointDFT--415.41099240; eV
thumbnail.jpeg30-Jan-2025/CO_oxidation 4Tangpakonsab, Parinyavasp; 6.3.2; 27Jun22 (build Oct 10 2023 11:43:43) complexSingle pointDFT--415.42309101; eV
thumbnail.jpeg30-Jan-2025/CO_oxidation 5Tangpakonsab, Parinyavasp; 6.2.1; 16May21 (build Mar 26 2024 00:22:47) complexSingle pointDFT--414.83410867; eV
thumbnail.jpeg30-Jan-2025/CO_oxidation 6Tangpakonsab, Parinyavasp; 6.3.2; 27Jun22 (build Oct 10 2023 11:43:43) complexSingle pointDFT--404.78627298; eV
thumbnail.jpeg30-Jan-2025/CO_oxidation 7aTangpakonsab, Parinyavasp; 6.2.1; 16May21 (build Sep 27 2022 23:26:28) complexSingle pointDFT--423.23430459; eV
thumbnail.jpeg30-Jan-2025/CO_oxidation 7bTangpakonsab, Parinyavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 22 2023 14:03:54) complexGeometry optimizationDFT--420.78225926; eV
thumbnail.jpeg30-Jan-2025/CO_oxidation 8Tangpakonsab, Parinyavasp; 6.4.1; 05Apr23 (build May 23 2023 13:30:57) complexSingle pointDFT--399.87822314; eV
thumbnail.jpeg30-Jan-2025Cu_CeO2(100)Tangpakonsab, Parinyavasp; 6.4.1; 05Apr23 (build May 23 2023 13:30:57) complexSingle pointDFT--394.62568590; eV
thumbnail.jpeg24-Mar-2025Cu_CeO2(100)_19_atomic_layersTangpakonsab, Parinyavasp; 6.2.1; 16May21 (build Sep 27 2022 23:26:28) complexSingle pointDFT--895.88985050; eV
thumbnail.jpeg30-Jan-2025Cu_CeO2(110)Tangpakonsab, Parinyavasp; 6.4.1; 05Apr23 (build May 23 2023 13:30:57) complexSingle pointDFT--592.66489472; eV
thumbnail.jpeg24-Mar-2025Cu_CeO2(110)_8_atomic_layersTangpakonsab, Parinyavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Feb 14 2025 14:51:58) complexGeometry optimizationDFT--794.27329158; eV
thumbnail.jpeg30-Jan-2025Cu_CeO2(111)Tangpakonsab, Parinyavasp; 6.4.1; 05Apr23 (build May 23 2023 13:30:57) complexSingle pointDFT--399.87822314; eV
thumbnail.jpeg30-Jan-2025Cu_CeO2(111)_VO3NNTangpakonsab, Parinyavasp; 6.3.2; 27Jun22 (build Oct 10 2023 11:43:43) complexSingle pointDFT--391.85665993; eV
thumbnail.jpeg30-Jan-2025Cu_CeO2(111)_VO4NNTangpakonsab, Parinyavasp; 6.3.2; 27Jun22 (build Oct 10 2023 11:43:43) complexSingle pointDFT--391.67770117; eV
Showing results 1 to 20 of 42  next >