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Dipole potential barrier simulation model for studying polar polymers

✍ Scribed by A.A. Hashim; Jan Evans-Freeman; A.A. Hassan; M.T. Mohammad


Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
468 KB
Volume
138
Category
Article
ISSN
0921-5107

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## Abstract We present an approximation, which allows reduction of computational resources needed to explicitly incorporate electrostatic polarization into molecular simulations utilizing empirical force fields. The proposed method is employed to compute three‐body energies of molecular complexes w