Predicting isotopologue abundances in the products of organic catagenesis with a kinetic Monte-Carlo model
Hao Xie, Michael J Formolo, John M. Eiler
Topics & Concepts
IsotopologueIntramolecular forceChemistryCrackingKinetic isotope effectMoleculeComputational chemistryChemical physicsOrganic chemistryPhysicsDeuteriumNuclear physicsHydrocarbon exploration and reservoir analysisPetroleum Processing and AnalysisPhase Equilibria and Thermodynamics