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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Oct-202121rdMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complexGeometry optimizationDFT--159.11382297; eV
thumbnail.jpeg21-Oct-202121rMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complexGeometry optimizationDFT--159.14836754; eV
thumbnail.jpeg21-Oct-2021Glu_tridentate-waterMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complexGeometry optimizationDFT--400.05699762; eV
thumbnail.jpeg21-Oct-2021Glu_tridentateMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complexGeometry optimizationDFT--384.85621940; eV
thumbnail.jpeg21-Oct-2021Glu_bidentate-3Mates Torres, Ericvasp; 6.2.0; 18Jan21 (build Sep 03 2021 23:55:50) complexGeometry optimizationDFT--384.52098377; eV
thumbnail.jpeg21-Oct-202123rMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complexGeometry optimizationDFT--159.21125915; eV
thumbnail.jpeg21-Oct-2021BulkMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexGeometry optimizationDFT--43.64842110; eV
thumbnail.jpeg21-Oct-202132rdMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complexGeometry optimizationDFT--159.24085634; eV
thumbnail.jpeg21-Oct-202124rMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complexGeometry optimizationDFT--159.14341594; eV
thumbnail.jpeg21-Oct-2021SurfaceMates Torres, Ericvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complexGeometry optimizationDFT--75.64851158; eV
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