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Modern Developments Using Molecular Simulation to Predict the Physical and Mechanical Properties of Polybenzoxazines

Hamerton, I and Howlin, BJ (2017) Modern Developments Using Molecular Simulation to Predict the Physical and Mechanical Properties of Polybenzoxazines In: Advanced and Emerging Polybenzoxazine Science and Technology. Elsevier, pp. 111-129. ISBN 9780128041703

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Abstract

The use of molecular simulation techniques in connection with structural polymers is now becoming more widely accepted and is employed as a legitimate way to not only visualize complex structures, but also to replicate empirically determined parameters. In this chapter, the authors present the state-of-the-art uses of molecular simulation (molecular mechanics and molecular dynamics) based on some 24 years of practical experience in the field.

Item Type: Book Section
Subjects : Chemistry
Divisions : Faculty of Engineering and Physical Sciences > Chemistry
Authors :
NameEmailORCID
Hamerton, IUNSPECIFIEDUNSPECIFIED
Howlin, BJUNSPECIFIEDUNSPECIFIED
Date : 15 February 2017
Identification Number : 10.1016/B978-0-12-804170-3.00008-1
Copyright Disclaimer : Copyright © 2017 Elsevier Inc. All rights reserved
Uncontrolled Keywords : Molecular simulation, Molecular modeling, Molecular mechanics, Molecular dynamics, Property prediction
Depositing User : Symplectic Elements
Date Deposited : 07 Feb 2017 09:22
Last Modified : 31 Oct 2017 19:06
URI: http://epubs.surrey.ac.uk/id/eprint/813468

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