Structural, electronic and mechanical properties of alkali metal borates containing B4O9 polyanions: ab initio calculations using cluster models.

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Title: Structural, electronic and mechanical properties of alkali metal borates containing B4O9 polyanions: ab initio calculations using cluster models.
Authors: Chobal, Oleksandr1 (AUTHOR) oleksandr.chobal@uzhnu.edu.ua, Chobal, Iryna1 (AUTHOR), Petryshynets, Ivan2 (AUTHOR), Rizak, Galina3 (AUTHOR), Rizak, Vasyl1 (AUTHOR)
Source: Molecular Simulation. Aug2025, Vol. 51 Issue 12, p824-837. 14p.
Database: Academic Search Ultimate
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ISSN:08927022
DOI:10.1080/08927022.2025.2530625