Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Jul-2026SP_EFEI_TSB_4-5_nNGarcía-Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimizationDFTdef2-tzvppd; def2/J-1013.88532006451464; Eh
Login required20-Jul-2026SP_EFEI_TSD_4-5_nNGarcía-Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimizationDFTdef2-tzvppd; def2/J-1033.30711553663400; Eh
Login required20-Jul-2026SP_EFEI_TSC_5-5_nNGarcía-Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimizationDFTdef2-tzvppd; def2/J-1154.96798264513245; Eh
Login required20-Jul-2026SP_EFEI_TSA_5-5_nNGarcía-Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimizationDFTdef2-tzvppd; def2/J-1135.54667997564502; Eh
Login required20-Jul-2026SP_EFEI_D_4-5_nNGarcía-Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimizationDFTdef2-tzvppd; def2/J-1033.32331977382501; Eh
Login required20-Jul-2026SP_EFEI_C_5-5_nNGarcía-Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimizationDFTdef2-tzvppd; def2/J-1154.99606179795092; Eh
Login required20-Jul-2026SP_EFEIref_dmnomeGarcía-Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimizationDFTdef2-tzvppd; def2/J-750.29326520191546; Eh
Login required20-Jul-2026/Energy-profiles/FF-to-HF/FF-to-meso-HF-Ag-4S-solvent-V FA-Ag-4S(111)-solv-VMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--360.23522925; eV
Login required20-Jul-2026/Energy-profiles/FF-to-HF/FF-to-meso-HF-Ag-2S-solvent FFH-FFH-Ag-2S(111)-solvMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--348.33966191; eV
Login required20-Jul-2026/Energy-profiles/FF-to-HF/FF-to-meso-HF-Ag-3S-solvent FFH-FFH-Ag-3S(111)-solvMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complexGeometry optimizationDFT--353.60383045; eV
Results 103611-103620 of 103689 (Search time: 0.081 seconds).