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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Jul-2025/Defects_222/vsn/V_Sn+1 V_Sn+1Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--
Login required2-Jul-2025/Defects_222/vpea vpeaBenzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--
Login required2-Jul-2025/scan/chem_pot_scan/chem_pot/H2O H2OBenzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--14.68040059; eV
Login required2-Jul-2025/scan/chem_pot_scan/SnI2 SnI2Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--651.78006881; eV
Login required2-Jul-2025/scan/chem_pot_scan/PEAI PEAIBenzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--166.65062134; eV
Login required2-Jul-2025/scan/chem_pot_scan/SnI4 SnI4Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--180.98905830; eV
Login required2-Jul-2025/scan/chem_pot_scan/PEA PEABenzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--125.61322716; eV
Login required2-Jul-2025/scan/chem_pot_scan/H2O H2OBenzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--14.68040059; eV
Login required2-Jul-2025/scan/chem_pot_scan/HI HIBenzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--315.69552089; eV
Login required2-Jul-2025/scan/chem_pot_scan/I2 I2Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--40.54244772; eV
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