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  1. No Access

    Article

    Multiscale computer simulation of polymer nanocomposites based on thermoplastics

    A literature review is presented on a multiscale approach to the simulation of nanocomposites based on thermoplastic polymers that includes calculations using quantum-chemical methods and molecular dynamics si...

    S. V. Lyulin, S. V. Larin, V. M. Nazarychev, S. G. Fal’kovich… in Polymer Science Series C (2016)

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    Article

    Computer simulation of the heat-resistant polyimides ULTEM™ and EXTEM™ with the use of GROMOS53a6 and AMBER99 force fields

    An atomistic computer simulation was performed for the polyimides ULTEM™ and EXTEM™ via the molecular-dynamics method with the use of Gromos53a6 and Amber99 force fields. For parameterization of electrostatic ...

    S. G. Fal’kovich, S. V. Larin, V. M. Nazarychev, I. V. Volgin… in Polymer Science Series A (2014)