Research output: Contribution to journal › Letter › peer-review
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.
Original language | English |
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Pages (from-to) | 610-612 |
Number of pages | 3 |
Journal | Russian Journal of General Chemistry |
Volume | 88 |
Issue number | 3 |
DOIs | |
State | Published - 1 Mar 2018 |
ID: 35261342