Atomic Charges and Chemical Bonding in Y-Ga Compounds

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...

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Bibliographic Details
Main Authors:	Yuri Grin, Anatolij Fedorchuk, Rodolfo J. Faria, Frank R. Wagner
Format:	Article
Language:	English
Published:	MDPI AG 2018-02-01
Series:	Crystals
Subjects:	intermetallic compound quantum theory of atoms in molecules electron localizability indicator
Online Access:	http://www.mdpi.com/2073-4352/8/2/99

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