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Russian Journal of General Chemistry

, Volume 88, Issue 3, pp 610–612 | Cite as

Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments

  • A. V. Petrov
  • K. N. Semenov
  • I. V. Murin
Letters to the Editor

Abstract

The electronic structure of fullerene C60 derivatives containing malonic acid fragments used as dopants in nanocomposite polymer electrolytic membranes was calculated by the density functional method. Charge states of atoms, thus determined, are necessary for molecular-dynamic simulation of proton mobility in these membranes.

Keywords

fullerene malonic acid density functional theory 

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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  1. 1.St. Petersburg State UniversitySt. PetersburgRussia

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