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Author
Totton, T. S. | Chakrabarti, D. | Misquitta, A. J. | Sander, M. | Wales, D. J. | Kraft, M.
Title
Modeling the Internal Structure of Nascent Soot Particles.
Coporate
Cambridge Univ., New Museums Site, Pembroke Street, Cambridge CB2 3RA, UK Cambridge Univ., Lensfield Road, Cambridge CB2 1EW, UK Cambridge Univ., JJ Thomson Avenue, Cambridge CB3 0HE, UK
Journal
Combustion and Flame, Vol. 157, No. 5, 909-914, May 2010
Keywords
soot | structures | polycyclic aromatic hydrocarbons | density effects | soot particles | pyrene | algorithms
Identifiers
Transmission Electron Microscopy (TEM); parameters for the Lennard-Jones potential; clusters assembled from polycyclic aromatic hydrocarbon (PAH) molecules; stochastic 'basin-hopping' global optimisation scheme; molecular clusters; particle density; clusters of 50 coronene and 50 pyrene molecules