Atomic Charges and Chemical Bonding in Y-Ga Compounds
A negative deviation from Vegard rule for the average atomic volume versus yttrium content was found from experimental crystallographic information about the binary compounds of yttrium with gallium. Analysis of the electron density (DFT calculations) employing the quantum theory of atoms in molecul...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2018-02-01
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Series: | Crystals |
Subjects: | |
Online Access: | http://www.mdpi.com/2073-4352/8/2/99 |