Título: Estimating thermochemical properties of hydroprocessing reactions by molecular simulation and group contribution methodsAutor: Víctor Rolando Ruiz AhónAno: 2005DOI: 10.1016/j.cattod.2005.08.020Revista: Catalysis TodayISSN: 09205861Tags: Enthalpyfree radicalsCarbocation groupsGroup contributionMolecular simulationIdioma: Inglês