Fast Correction of Errors in the DFT-Calculated Energies of Gaseous Nitrogen-Containing Species

Calle-Vallejo, FedericoBuiles Toro, Santiago2021-12-162021https://hdl.handle.net/10784/30631application/pdfengTodos los derechos reservadosErrores de fase gaseosaReacciones en fase gaseosaCalores de formaciónAproximación del gradiente generalizadoCiclo del nitrógenoFast Correction of Errors in the DFT-Calculated Energies of Gaseous Nitrogen-Containing Speciesinfo:eu-repo/semantics/masterThesisinfo:eu-repo/semantics/closedAccessCATÁLISISABSORCIÓNGas-phase errorsGas-phase reactionsHeats of formationGeneralized gradient approximationNitrogen cycleAcceso metadatos2021-12-16Urrego-Ortiz, RicardoCalle-Vallejo, FedericoBuiles Toro, Santiago631.41 U81reponame:Repositorio Institucional Universidad EAFITinstname:Universidad EAFITrepourl:https://repository.eafit.edu.cohttp://purl.org/coar/access_right/c_14cb