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Quantum chemical topology and natural bond orbital analysis of M-O covalency in M(OC

Authors :
Victoria E J, Berryman
Jacob J, Shephard
Tatsumi, Ochiai
Amy N, Price
Polly L, Arnold
Simon, Parsons
Nikolas, Kaltsoyannis
Source :
Physical chemistry chemical physics : PCCP. 22(29)
Publication Year :
2020

Abstract

Covalency is complex yet central to our understanding of chemical bonding, particularly in the actinide series. Here we assess covalency in a series of isostructural d and f transition element compounds M(OC

Details

ISSN :
14639084
Volume :
22
Issue :
29
Database :
OpenAIRE
Journal :
Physical chemistry chemical physics : PCCP
Accession number :
edsair.pmid..........e35d7088f8c263355718ace1a281c419