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Predicting transition state and activation energies in n-hexane cracking over zeolites: Combined DFT calculations and estimations with the SISSO method

Thana Maihom, Jarinya Sittiwong, Michael Probst, Bundet Boekfa, Chularat Wattanakit, Jumras Limtrakul

2024Journal of Catalysis13 citationsDOI

Topics & Concepts

ChemistryHexaneCrackingFluid catalytic crackingCatalysisComputational chemistryTransition state theoryState (computer science)ThermodynamicsTransition stateActivation energyPhysical chemistryOrganic chemistryKineticsReaction rate constantQuantum mechanicsPhysicsAlgorithmComputer scienceZeolite Catalysis and SynthesisNMR spectroscopy and applicationsAdvanced NMR Techniques and Applications
Predicting transition state and activation energies in n-hexane cracking over zeolites: Combined DFT calculations and estimations with the SISSO method | Litcius