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KPI Science News
ISSN 2617-5509 · e‑ISSN 2663-7472 Open Access · CC BY 4.0
KPISN 2019

VOL
ISS 1
Issue · 2019

No. 1 (2019)

Vol. · 1
Published Mar 2019
Articles 9
Authors 26
§ Table of contents

Articles

QUANTUM-MECHANICAL CALCULATIONS OF THE CARBONATE-CONTAINING CALCIUM APATITES ATOMIC AND ELECTRONIC STRUCTURE

Anastas A. Romansky, Lyubov I. Karbivska, Volodymyr L. Karbivskyy, Olena Ya. Kuznetsova, Viktor V. Stonis, Arsen P. Soroka

Background. The inclusion of the CO 3 2 - ion into the structure of apatite leads to significant changes in the chemical and physical characteristics of the mineral. The…

#Calcium apatite #Isomorphic substitution #Density functional theory #Density of electronic states
10.20535/kpi-sn.2019.1.158692