Mechanistic and microkinetic study of non-oxidative methane coupling on a single-atom iron catalyst

Non‐oxidative methane coupling over silica versus silica‐supported iron(II) single sites

(2020) Petr Šot et al.   CHEMISTRY-A EUROPEAN JOURNAL

Direct Non-oxidative Methane Conversion in a Millisecond Catalytic Wall Reactor

(2019) Su Cheun Oh et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nonoxidative Direct Conversion of Methane on Silica-Based Iron Catalysts: Effect of Catalytic Surface

(2019) Seung Ju Han et al.   ACS Catalysis

DFT studies of hydrocarbon combustion on metal surfaces

(2018) Mina Arya et al.   JOURNAL OF MOLECULAR MODELING

A density functional theory study of reactions of relevance to catalytic hydrocarbon synthesis and combustion

(2018) Mina Arya et al.   THEORETICAL CHEMISTRY ACCOUNTS

Hydrogen-Permeable Tubular Membrane Reactor: Promoting Conversion and Product Selectivity for Non-Oxidative Activation of Methane over an Fe©SiO2Catalyst

(2016) Mann Sakbodin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends

(2015) Andrew J. Medford et al.   CATALYSIS LETTERS

Oxidative coupling of methane: catalytic behaviour assessment via comprehensive microkinetic modelling

(2014) V.I. Alexiadis et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Direct, Nonoxidative Conversion of Methane to Ethylene, Aromatics, and Hydrogen

(2014) X. Guo et al.   SCIENCE

Universal transition state scaling relations for (de)hydrogenation over transition metals

(2011) S. Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates

(2009) Carsten Stegelmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY