Development of a new interatomic potential for the modeling of ligand field effects

Journal of Physical Chemistry B

Volumn 105, Issue 29, 2001, Pages 6824-6830

  Woodley, Scott M ^a   Battle, Peter D ^b   Catlow, C Richard A ^a   Gale, Julian D ^c  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND FIELD EFFECTS;

ALGORITHMS; CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTAL STRUCTURE; IONS; LANTHANUM COMPOUNDS; LATTICE CONSTANTS; MANGANESE COMPOUNDS; SUPERCONDUCTIVITY;

PEROVSKITE;

EID: 0035954981     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010742u     Document Type: Article

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