Atomistic simulations of the aggregation of small aromatic molecules in homogenous and heterogenous mixtures

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Atomistic simulations of the aggregation of small aromatic molecules in homogenous and heterogenous mixtures

The relatively weak London dispersion forces are the only interactions that could cause aggregation between simple aromatic molecules. The use of molecular dynamics and high-levelab initiocomputer simulations has been used to describe the aggregation and interactions between molecular systems contai...

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Bibliographic Details
Main Authors:	Thomas, M., Suarez-Martinez, Irene, Yu, L.J., Karton, A., Chandler, G.S., Robinson, M., Cherchneff, I., Talbi, D., Spagnoli, D.
Format:	Journal Article
Language:	English
Published:	ROYAL SOC CHEMISTRY 2020
Subjects:	Science & Technology Physical Sciences Chemistry, Physical Physics, Atomic, Molecular & Chemical Chemistry Physics VAPOR-PRESSURE MEASUREMENTS PI-PI STACKING SOOT FORMATION FORCE-FIELD AB-INITIO HYDROCARBONS BENZENE PAHS NUCLEATION IRC+10216
Online Access:	https://europepmc.org/article/MED/32766637 http://hdl.handle.net/20.500.11937/90965

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