A Detailed Model for the Sintering of Polydispersed Nanoparticle Agglomerates

journal article; published in Aerosol Science and Technology in 2009

A detailed kinetic model for combustion synthesis of titania from TiCl4

A statistical approach to develop a detailed soot growth model using PAH characteristics

article

An extensible framework for capturing solvent effects in computer generated kinetic models

scientific article published on 5 March 2013

Aromatic site description of soot particles

article

Assessing impacts of discrepancies in model parameters on autoignition model performance: A case study using butanol

article

Automated Transition State Theory Calculations for High-Throughput Kinetics

scientific article

Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software

scientific article published in 2023

Automatic Generation of Microkinetic Mechanisms for Heterogeneous Catalysis

Automatic Mechanism and Kinetic Model Generation for Gas- and Solution-Phase Processes: A Perspective on Best Practices, Recent Advances, and Future Challenges

article

ChemInform Abstract: Predicting Solvation Energies for Kinetic Modeling

article

Developing detailed kinetic models of syngas production from bio-oil gasification using Reaction Mechanism Generator (RMG)

Effects of CO2 on Carbon Nanotube Formation from Thermal Decomposition of Ethylene

Elucidating the role of reactive nitrogen intermediates in hetero-cyclization during hydrothermal liquefaction of food waste

Elucidating the role of reactive nitrogen intermediates in hetero-cyclization during hydrothermal liquefaction of food waste

scientific article published in 2022

First-principles thermochemistry for silicon species in the decomposition of tetraethoxysilane

scientific article

First-principles thermochemistry for the combustion of a TiCl4 and AlCl3 mixture

scientific article

First-principles thermochemistry for the production of TiO2 from TiCl4.

scientific article published on 19 April 2007

Kinetic Solvent Effects in Organic Reactions

article

Letter to the editor: Electronic data formats for open storage of published chemical kinetic data

Modelling gas-phase synthesis of single-walled carbon nanotubes on iron catalyst particles

scholarly article in Carbon, vol. 46 no. 3, March 2008

Modelling soot formation in a premixed flame using an aromatic-site soot model and an improved oxidation rate

article

Predicting solvation energies for kinetic modeling

article

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

article

Reduction Techniques Methods for Simplifying Complex Kinetic Systems: A General Review

The impact of roaming radicals on the combustion properties of transportation fuels

The role of correlations in uncertainty quantification of transportation relevant fuel models

Toward a Comprehensive Model of the Synthesis of TiO2Particles from TiCl4

article

Transition state geometry prediction using molecular group contributions.

scientific article published on 8 October 2015