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Recursive neural networks prediction of glass transition temperature from monomer structure: an application to acrylic and methacrylic polymers

✍ Scribed by Celia Duce; Alessio Micheli; Roberto Solaro; Antonina Starita; Maria Rosaria Tiné


Publisher
Springer
Year
2009
Tongue
English
Weight
487 KB
Volume
46
Category
Article
ISSN
0259-9791

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We describe an original QSPR model called the EVM model (Energy, Volume, Mass) to calculate the glass transition temperature (T g ) of aliphatic acrylate and methacrylate homopolymers using classical molecular mechanics and dynamics. The latter was used to calculate an energy density function relate