Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jun-2017/Lv3 Lv3Swart, MarcelADF; 2017Geometry optimizationDFTTZ2P-
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Ofc_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.27033237; eV
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Cl_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1263.85671013; eV
thumbnail.jpeg20-May-2019/FePO4 2_EaOC_Cl_Cladd_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1256.93588718; eV
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Ofc_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.35455215; eV
thumbnail.jpeg20-May-2019/FePO4 2_EaOC_Cl_Cladd_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.20363405; eV
Login required10-Sep-2019Cysteine_moleculeMates Torres, Ericvasp; 5.4.1; 24Jun15 (build Dec 20 2017 10:32:10) gamma-onlyGeometry optimizationDFT--73.42876860; eV
Login required10-Sep-20191_ads-b-7Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--291.28341439; eV
Login required10-Sep-20191_ads-b-3Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complexGeometry optimizationDFT--291.38489131; eV
Login required10-Sep-20191_ads-b-4Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--291.52538447; eV
Results 1-10 of 111 (Search time: 0.003 seconds).