Partitioning of polycyclic aromatic hydrocarbons in heterogeneous clusters

Partitioning of polycyclic aromatic hydrocarbons in heterogeneous clusters

The morphologies of heterogeneous clusters of polycyclic aromatic hydrocarbons (PAHs) are investigated using molecular modelling. Clusters of up to 100 molecules containing combinations of the different sized PAHs circumcoronene, coronene, ovalene, or pyrene are evaluated. Replica exchange molecular...

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Bibliographic Details
Main Authors: Bowal, Kimberly, Martin, Jacob W., Kraft, Markus
Other Authors: School of Chemical and Biomedical Engineering
Format: Article
Language:English
Published: 2019
Subjects:
Polycyclic Aromatic Hydrocarbons
Heterogeneous
Engineering::Chemical engineering
Online Access:https://hdl.handle.net/10356/80541
http://hdl.handle.net/10220/50370
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Institution: Nanyang Technological University
Language: English

Internet

https://hdl.handle.net/10356/80541
http://hdl.handle.net/10220/50370

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