Charges on hydrogen atoms of proton-donor groups (OH, COH, COOH, H) modifyingthe surface of nanodiamond particles have been simulated by DFT quantum chemicalcalculations. The highest charge has been found on the OH hydrogen atom.

Original languageEnglish
Pages (from-to)927-928
Number of pages2
JournalRussian Journal of General Chemistry
Volume90
Issue number5
DOIs
StatePublished - 1 May 2020

    Scopus subject areas

  • Chemistry(all)

    Research areas

  • DFT calculations, nanodiamond

ID: 70794737