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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Sep-2019Cysteine_moleculeMates Torres, Ericvasp; 5.4.1; 24Jun15 (build Dec 20 2017 10:32:10) gamma-onlyGeometry optimizationDFT--73.42876860; eV
thumbnail.jpeg10-Sep-20191_ads-b-3Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complexGeometry optimizationDFT--291.38489131; eV
thumbnail.jpeg10-Sep-20191_ads-b-4Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--291.52538447; eV
thumbnail.jpeg10-Sep-20191_ads-b-2Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--291.40395596; eV
thumbnail.jpeg10-Sep-20191_ads-b-1Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complexGeometry optimizationDFT--291.47929367; eV
thumbnail.jpeg10-Sep-20194_ads-b_t_t_m-1Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--511.20150875; eV
thumbnail.jpeg10-Sep-20194_ads-m_t_t_m-1Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--511.13796981; eV
thumbnail.jpeg10-Sep-20194_ads-t_t_t_m-1Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--511.07515642; eV
thumbnail.jpeg10-Sep-20194_ads-m_m_m_m-1Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jul 8 2016 11:28:16) complexGeometry optimizationDFT--510.31680976; eV
thumbnail.jpeg10-Sep-20194_ads-m_m_m_m-3Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--509.31580351; eV
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