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Relevant structures for the CP (co-precipitation) and DI (dry impregnation) catalysts obtained from Pd-doped In2O3 for the CO2 reduction to methanol.

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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-106

This dataset derived results are published in:

Manuscript title: Atomic dispersion via synthetic control to maximize the promotional effect of Pd on In2O3 in CO2-based methanol production

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 13 of 13
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Nov-2018CP-freshGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1094.55697228; eV
Login required23-Nov-2018CP-aGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1087.67969225; eV
Login required23-Nov-2018CP-bGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--1080.38747720; eV
Login required23-Nov-2018CP-cGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--1092.16889374; eV
Login required23-Nov-2018CP-1hGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--1085.18476978; eV
Login required23-Nov-2018DI-freshGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--1098.03076754; eV
Login required23-Nov-2018DI-aGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1091.62928296; eV
Login required23-Nov-2018DI-bGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--1095.39292434; eV
Login required23-Nov-2018DI-cGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--1092.13517081; eV
Login required23-Nov-2018DI-dGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--1099.41209201; eV
Login required23-Nov-2018DI-eGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1085.12575567; eV
Login required23-Nov-2018DI-fGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1089.57646149; eV
Login required23-Nov-2018DI-1hGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--1103.29637588; eV
Collection's Items (Sorted by Submit Date in Descending order): 1 to 13 of 13
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