The origin of the stereochemically active Pb(II) lone pair: DFT calculations on PbO and PbS

Journal of Solid State Chemistry

Volumn 178, Issue 5, 2005, Pages 1422-1428

  Walsh, Aron ^a   Watson, Graeme W ^a  

^a TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

Density functional theory; Electronic structure; Lead oxide; Lone pairs

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL BONDS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; FERMI LEVEL; LEAD COMPOUNDS; PROBABILITY DENSITY FUNCTION; STEREOCHEMISTRY; THERMODYNAMIC STABILITY;

HYBRIDIZATION; LEAD OXIDE; LONE PAIRS; LOW ENERGY REGIONS;

LEAD;

EID: 17644373071     PISSN: 00224596     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jssc.2005.01.030     Document Type: Article

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