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Using Combined Computational Techniques to Predict the Glass Transition Temperatures of Aromatic Polybenzoxazines

The Molecular Operating Environment software (MOE) is used to construct a series of benzoxazine monomers for which a variety of parameters relating to the structures (e.g. water accessible surface area, negative van der Waals surface area, hydrophobic volume and the sum of atomic polarizabilities, e...

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Detalles Bibliográficos
Autores principales:	Mhlanga, Phumzile, Wan Hassan, Wan Aminah, Hamerton, Ian, Howlin, Brendan J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2013
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3542367/ https://www.ncbi.nlm.nih.gov/pubmed/23326419 http://dx.doi.org/10.1371/journal.pone.0053367

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