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.jpeg17-Sep-20187_Br_uncappedO_ethyl_bromide_Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesPBE+U--1246.10414619; eV
thumbnail.jpeg17-Sep-20184_Cl_uncappedO_fcO_X_ethyl_chloride_Clstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesPBE+U--1247.19259606; eV
thumbnail.jpeg2-Jul-2018/Vacancy_alpha/Vacancy_alpha Vacancy_diffusion_in_alpha-Ni(OH)2Elbaz, Yuvalvasp; 5.3.3; 18Dez12 (build Jan 06 2015 13:04:21) complexGeometry optimizationPBE+U--98.22908164; eV
thumbnail.jpeg2-Jul-2018/Interstitial_NiOH2 Interstitial_diffusion_in_NiOH2Elbaz, Yuvalvasp; 5.4.1; 05Feb16 (build Jul 27 2017 14:58:18) complexGeometry optimizationPBE+U--200.63653600; eV
thumbnail.jpeg2-Jul-2018/Interstitial_NiOOH Interstitial_diffusion_in_NiOOHElbaz, Yuvalvasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complexGeometry optimizationPBE+U--241.85460017; eV
thumbnail.jpeg2-Jul-2018/Vacancy_NiOH2 Vacancy_diffusion_in_b-NiOH2Elbaz, Yuvalvasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complexGeometry optimizationPBE+U--194.33978439; eV
thumbnail.jpeg2-Jul-2018/Vacancy_NiOOH Vacancy_diffusion_in_NiOOHElbaz, Yuvalvasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complexGeometry optimizationPBE+U--232.27688712; eV
Login required18-Sep-2018EuOCl(102)_1x3x1Scharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--572.32574999; eV
Login required18-Sep-2018EuOCl(101)_2x3x1Scharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--858.21432292; eV
Login required18-Sep-2018EuOCl(110)_2x2x1Scharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--555.84757662; eV
Results 1-10 of 56 (Search time: 0.002 seconds).

Discover