M-MOF-74_for_OER

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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-188
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/Pristine-Fe-MOF-74 B-AFM-DOSMorales, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexDFT--1210.42341291; eV
thumbnail.jpeg/Defective-Fe-MOF-74 C-DOSMorales, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexDFT--2371.12117851; eV
thumbnail.jpeg/Defective-Fe-MOF-74 D-DOSMorales, Jordivasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexDFT--2370.99766971; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-OH-AFMMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1192.66458220; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-O-AFMMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1186.99954852; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-O-AFM-freqMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1186.99682629; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-OOH-AFMMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1197.22708073; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-OOH-AFM-freqMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1197.22595018; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-OH-H₂O-AFMMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexDFT--1207.52817545; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-OH-H₂O-AFM-freqMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexDFT--1207.52585255; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-O-H₂O-AFMMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexDFT--1201.76314689; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-O-H₂O-AFM-freqMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 08 2017 09:05:29) complexDFT--1201.76210496; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-FM-freqMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complexDFT--1183.03722545; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-OH-FMMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complexDFT--1192.61249307; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-OH-FM-freqMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complexDFT--1192.60739660; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-O-FMMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complexDFT--1187.01931512; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-O-FM-freqMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complexDFT--1187.01812168; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-OOH-FMMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complexDFT--1197.08933226; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-OOH-FM-freqMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 14 2019 09:46:23) complexDFT--1197.08622830; eV
thumbnail.jpeg/Pristine-Co-MOF-74 A-AFMMorales, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 17 2018 12:30:40) complexDFT--1183.05724838; eV
Collection's Items (Sorted by in order): 1 to 20 of 212
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