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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/011_vacancies s1Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1038.72916564; eV
thumbnail.jpeg/011_vacancies s2Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1038.49724059; eV
thumbnail.jpeg/011_vacancies doubly-split_s2Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1038.13596846; eV
thumbnail.jpeg/011_vacancies 2Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1038.08784720; eV
thumbnail.jpeg/011_vacancies 4Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1037.93781860; eV
thumbnail.jpeg/011_vacancies 6Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1037.71584649; eV
thumbnail.jpeg/011_vacancies 9Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1037.88257214; eV
thumbnail.jpeg/011_vacancies 10Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1037.73425688; eV
thumbnail.jpeg/011_vacancies 11Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1037.79255967; eV
thumbnail.jpeg/water_oxidation_intermediates/001/pristine startNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1109.09431417; eV
thumbnail.jpeg/water_oxidation_intermediates/001/pristine 1Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1103.10837641; eV
thumbnail.jpeg/water_oxidation_intermediates/001/pristine 2aNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1098.68685662; eV
thumbnail.jpeg/water_oxidation_intermediates/001/pristine 4aNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1106.89119767; eV
thumbnail.jpeg/water_oxidation_intermediates/001/split startNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1101.11773821; eV
thumbnail.jpeg/water_oxidation_intermediates/001/split 1Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1097.07166913; eV
thumbnail.jpeg/water_oxidation_intermediates/001/split 2bNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1092.10978632; eV
thumbnail.jpeg/water_oxidation_intermediates/001/split 4bNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--1101.23277913; eV
thumbnail.jpeg/water_oxidation_intermediates/001/hydrated startNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1101.28743306; eV
thumbnail.jpeg/water_oxidation_intermediates/001/hydrated -1Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1097.81382786; eV
thumbnail.jpeg/water_oxidation_intermediates/001/hydrated pristineNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1109.09431417; eV
thumbnail.jpeg/water_oxidation_intermediates/001/hydrated 1Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1103.10837640; eV
thumbnail.jpeg/water_oxidation_intermediates/011/pristine startNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1103.45841518; eV
thumbnail.jpeg/water_oxidation_intermediates/011/pristine 1Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1098.02194590; eV
thumbnail.jpeg/water_oxidation_intermediates/011/pristine 2bNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1092.62951842; eV
thumbnail.jpeg/water_oxidation_intermediates/011/pristine 4bNikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexDFT--1102.63696161; eV
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