Kinetic, Spectroscopic, and Theoretical Assessment of Associative and Dissociative Methanol Dehydration Routes in Zeolites

Acid strength and solvation in catalysis by MFI zeolites and effects of the identity, concentration and location of framework heteroatoms

(2014) Andrew J. Jones et al.   JOURNAL OF CATALYSIS

Implications of Transition State Confinement within Small Voids for Acid Catalysis

(2014) Andrew J. Jones et al.   Journal of Physical Chemistry C

Methanol to Dimethyl Ether over ZSM-22: A Periodic Density Functional Theory Study

(2013) Poul Georg Moses et al.   ACS Catalysis

Conversion of Methanol to Hydrocarbons: How Zeolite Cavity and Pore Size Controls Product Selectivity

(2012) Unni Olsbye et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Van der Waals interactions between hydrocarbon molecules and zeolites: Periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory

(2012) Florian Göltl et al.   JOURNAL OF CHEMICAL PHYSICS

Direct Production of Propene from Methoxy Species and Dimethyl Ether over H-ZSM-5

(2012) Hiroshi Yamazaki et al.   Journal of Physical Chemistry C

The Roles of Entropy and Enthalpy in Stabilizing Ion-Pairs at Transition States in Zeolite Acid Catalysis

(2011) Rajamani Gounder et al.   ACCOUNTS OF CHEMICAL RESEARCH

Evidence for a “Carbene-like” Intermediate during the Reaction of Methoxy Species with Light Alkenes on H-ZSM-5

(2011) Hiroshi Yamazaki et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Monomolecular cracking of propane over acidic chabazite: An ab initio molecular dynamics and transition path sampling study

(2011) Tomáš Bučko et al.   JOURNAL OF CATALYSIS

Catalytic consequences of acid strength in the conversion of methanol to dimethyl ether

(2011) Robert T. Carr et al.   JOURNAL OF CATALYSIS

Entropy effects in hydrocarbon conversion reactions: free-energy integrations and transition-path sampling

(2010) T Bucko et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Reactivity of Surface Alkoxy Species on Acidic Zeolite Catalysts

(2008) Wei Wang et al.   ACCOUNTS OF CHEMICAL RESEARCH