Full List of Publications co-authored by Raphael Shirley.

First-principles thermochemistry for the combustion of TiCl₄ in a methane flame

Tim Totton, Raphael Shirley, and Markus Kraft, Proceedings of the Combustion Institute 33, 493-500, (2011).

A coupled CFD-population balance approach for nanoparticle synthesis in turbulent reacting flows

Jethro Akroyd, Alastair J. Smith, Raphael Shirley, Laurence R. McGlashan, and Markus Kraft, Chemical Engineering Science 66, 3792-3805, (2011).

Theoretical insights into the surface growth of rutile TiO₂

Raphael Shirley, Jethro Akroyd, Luke Miller, Oliver R. Inderwildi, Uwe Riedel, and Markus Kraft, Combustion and Flame 158(10), 1868-1876, (2011).

New polycyclic aromatic hydrocarbon (PAH) surface processes to improve the model prediction of the composition of combustion-generated PAHs and soot

Abhijeet Raj, Peter L.W. Man, Tim Totton, Markus Sander, Raphael Shirley, and Markus Kraft, Carbon 48, 319-332, (2010).

Electronic and optical properties of aluminium-doped anatase and rutile TiO₂ from ab initio calculations

Raphael Shirley, Markus Kraft, and Oliver R. Inderwildi, Physical Review B 81, 7511, (2010).

First-Principles Thermochemistry for Gas Phase Species in an Industrial Rutile Chlorinator

Raphael Shirley, Weerapong Phadungsukanan, Markus Kraft, Jim Downing, Nick E. Day, and Peter Murray-Rust, Journal of Physical Chemistry A 114, 11825-11832, (2010).

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

Abhijeet Raj, Matthew S. Celnik, Raphael Shirley, Markus Sander, Robert I. A. Patterson, Richard H. West, and Markus Kraft, Combustion and Flame 156, 896-913, (2009).

First-Principles Thermochemistry for Silicon Species in the Decomposition of Tetraethoxysilane

Weerapong Phadungsukanan, Shraddha Shekar, Raphael Shirley, Markus Sander, Richard H. West, and Markus Kraft, Journal of Physical Chemistry A 113(31), 9041-9049, (2009).

A detailed kinetic model for combustion synthesis of titania from TiCl4

Richard H. West, Raphael Shirley, Markus Kraft, C. F. Goldsmith, and William H. Green, Combustion and Flame 156, 1764-1770, (2009).

First-Principles Thermochemistry for the Combustion of a TiCl₄ and AlCl₃ Mixture

Raphael Shirley, Yaoyao Liu, Tim Totton, Richard H. West, and Markus Kraft, Journal of Physical Chemistry A 113, 13790-13796, (2009).