1. Institute of Chemical Research of Catalonia

Browsing by Author González Acosta, José Manuel

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Showing results 1 to 20 of 314  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required4-Nov-2024/C2H2_adsorption_sites/C2H2_on_vacancies_with_PtCl2 C2H2_N2C_vacGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--1928.69867577; eV
Login required4-Nov-2024/C2H2_adsorption_sites/C2H2_on_vacancies_with_PtCl2 C2H2_N3C_vacGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--1926.37072780; eV
Login required4-Nov-2024/C2H2_adsorption_sites/C2H2_on_vacancies_with_PtCl2 C2H2_N3Clink_vacGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--1928.89030660; eV
Login required4-Nov-2024/C2H2_adsorption_sites/Pristine_ECN_noPt Clink-N2CGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1923.10388837; eV
Login required4-Nov-2024/C2H2_adsorption_sites/Pristine_ECN_noPt Clink-N3CGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1923.71729288; eV
Login required4-Nov-2024/C2H2_adsorption_sites/Pristine_ECN_noPt Clink-N3ClinkGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1924.90487007; eV
Login required4-Nov-2024/C2H2_adsorption_sites/Pristine_ECN_PtCl2 Clink-N2CGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1934.01693699; eV
Login required4-Nov-2024/C2H2_adsorption_sites/Pristine_ECN_PtCl2 Clink-N3CGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1935.76415875; eV
Login required4-Nov-2024/C2H2_adsorption_sites/Pristine_ECN_PtCl2 Clink-N3ClinkGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1935.65955984; eV
Login required2-Sep-2025/Catalysts Pdcav-pyPPCGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--247.83497752; eV
Login required2-Sep-2025/Catalysts PdcavCl-pyPPCGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--249.27191079; eV
Login required2-Sep-2025/Catalysts PdcavCl2-pyPPCGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--249.06255383; eV
Login required2-Sep-2025/Catalysts Pdpore-pyPPCGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--242.06341782; eV
Login required2-Sep-2025/Catalysts PdporeCl-pyPPCGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--245.12509256; eV
Login required2-Sep-2025/Catalysts PdporeCl-pyPPC-1HcavGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.09985702; eV
Login required2-Sep-2025/Catalysts PdporeCl-pyPPC-2HcavGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--255.76250362; eV
Login required2-Sep-2025/Catalysts PdporeCl2-pyPPCGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--247.79165049; eV
Login required2-Sep-2025/Catalysts PdporeCl2-pyPPC-2HcavGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--258.95614947; eV
Login required2-Sep-2025/Catalysts pyPPCGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--237.38274924; eV
Login required2-Sep-2025/Catalysts pyPPC_1HcavGonzález Acosta, José Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--243.39010724; eV
Showing results 1 to 20 of 314  next >