Publications by authors named "Tim Totton"

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Aggregation Behavior of Model Asphaltenes Revealed from Large-Scale Coarse-Grained Molecular Simulations.
Guadalupe Jiménez-Serratos, Tim S Totton, George Jackson, Erich A Müller

J Phys Chem B· March 2019

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Computational methodology for solubility prediction: Application to sparingly soluble organic/inorganic materials.
Lunna Li, Tim Totton, Daan Frenkel

J Chem Phys· August 2018

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Formation of Methane Hydrate in the Presence of Natural and Synthetic Nanoparticles.
Stephen J Cox, Diana J F Taylor, Tristan G A Youngs, Alan K Soper, Tim S Totton

J Am Chem Soc· March 2018

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Computational methodology for solubility prediction: Application to the sparingly soluble solutes.
Lunna Li, Tim Totton, Daan Frenkel

J Chem Phys· June 2017

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A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures.
Tim S Totton, Alston J Misquitta, Markus Kraft

Phys Chem Chem Phys· March 2012

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A survey of the potential energy surface for the (benzene)13 cluster.
Dwaipayan Chakrabarti, Tim S Totton, Markus Kraft, David J Wales

Phys Chem Chem Phys· December 2011

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Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite.
Tim S Totton, Alston J Misquitta, Markus Kraft

J Phys Chem A· November 2011

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A First Principles Development of a General Anisotropic Potential for Polycyclic Aromatic Hydrocarbons.
Tim S Totton, Alston J Misquitta, Markus Kraft

J Chem Theory Comput· March 2010

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First-principles thermochemistry for the combustion of a TiCl4 and AlCl3 mixture.
Raphael Shirley, Yaoyao Liu, Tim S Totton, Richard H West, Markus Kraft

J Phys Chem A· December 2009

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