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Stereochemistry and ab initio topology analyses of electron lone pair triplets and twins in interhalogen compounds and halogen suboxides

Article ID Journal Published Year Pages File Type
7909808 Progress in Solid State Chemistry 2017 18 Pages PDF
Abstract
Based on combined stereochemistry and ab initio topology analyses the paper endeavors showing the unavoidable necessity to accurately account for electron lone pairs:
Keywords
ELFElectron lone pairDFTCrystal chemistry
Related Topics
Physical Sciences and Engineering Materials Science Ceramics and Composites
Preview
Stereochemistry and ab initio topology analyses of electron lone pair triplets and twins in interhalogen compounds and halogen suboxides
Authors
Samir F. Matar, Guillaume Couegnat, Jean Galy,
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Progress in Solid State Chemistry
Journal: Progress in Solid State Chemistry
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DFT
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