Full List of Publications co-authored by Tim Totton.

Size-dependent melting of polycyclic aromatic hydrocarbon nano-clusters: A molecular dynamics study

Dongping Chen, Tim Totton, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Carbon 67, 79-91, (2014).

Phase change of polycyclic aromatic hydrocarbon clusters by mass addition

Dongping Chen, Tim Totton, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Carbon 77, 25-35, (2014).

A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures

Tim Totton, Alston J. Misquitta, and Markus Kraft, Physical Chemistry Chemical Physics 14, 4081-4096, (2012).

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 transferable electrostatic model for intermolecular interactions between polycyclic aromatic hydrocarbons

Tim Totton, Alston J. Misquitta, and Markus Kraft, Chemical Physics Letters 510(1-3), 154-160, (2011).

Assessing the PAHAP potential with application to the exfoliation energy of graphite

Tim Totton, Alston J. Misquitta, and Markus Kraft, Journal of Physical Chemistry A 115, 13684-13693, (2011).

A survey of the potential energy surface for the (benzene)₁₃ cluster

Dwaipayan Chakrabarti, Tim Totton, Markus Kraft, and David Wales, Physical Chemistry Chemical Physics 13, 21362-21366, (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).

Modelling the internal structure of nascent soot particles

Tim Totton, Dwaipayan Chakrabarti, Alston J. Misquitta, Markus Sander, David Wales, and Markus Kraft, Combustion and Flame 157, 909-914, (2010).

A First Principles Development of a General Anisotropic Potential for Polycyclic Aromatic Hydrocarbons

Tim Totton, Alston J. Misquitta, and Markus Kraft, Journal of Chemical Theory and Computation 6(3), 683-695, (2010).

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).