A First Principles Development of a General Anisotropic Potential for Polycyclic Aromatic Hydrocarbons-Reference-Cited by-同舟云学术

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

Published:2010-02-12 Issue:3 Volume:6 Page:683-695
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Totton Tim S.¹,Misquitta Alston J.¹,Kraft Markus¹

Affiliation:

1. Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge CB2 3RA, United Kingdom, and Department of Physics,Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge, CB3 0HE, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct9004883

Reference69 articles.

1. Intermolecular Potential Calculations for Polynuclear Aromatic Hydrocarbon Clusters

2. Crystallogenesis of Particles Formed in Hydrocarbon Combustion

3. Microstructure of diesel soot particles probed by electron microscopy: First observation of inner core and outer shell

4. HRTEM Study of diesel soot collected from diesel particulate filters

5. The roles of pah and acetylene in soot nucleation and growth

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