Modelling of octahedral manganese II complexes with inorganic ligands: A problem with spin-states

International Journal of Molecular Sciences

Volumn 4, Issue 8-9, 2003, Pages 503-511

  Trzaskowski, Bartosz ^a   Les, Andrzej ^a   Adamowicz, Ludwik ^b  

^a UNIVERSITY OF WARSAW   (Poland)

^b University of Arizona   (United States)

Author keywords

Ab Initio; Density functional theory; Manganese; Spin state

Indexed keywords

CYANIDE; FLUORIDE ION; INORGANIC COMPOUND; LIGAND; MANGANESE; METAL COMPLEX; WATER;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; ENERGY; MOLECULAR MODEL; NORMAL DISTRIBUTION; QUANTUM MECHANICS; STRUCTURE ANALYSIS;

EID: 3042845258     PISSN: 14220067     EISSN: None     Source Type: Journal    
DOI: 10.3390/i4080503     Document Type: Article

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