SIMPRE: A software package to calculate crystal field parameters, energy levels, and magnetic properties on mononuclear lanthanoid complexes based on charge distributions

Journal of Computational Chemistry

Volumn 34, Issue 22, 2013, Pages 1961-1967

  Baldoví, José J ^a   Cardona Serra, Salvador ^a   Clemente Juan, Juan M ^a   Coronado, Eugenio ^a   Gaita Ariño, Alejandro ^a   Palii, Andrew ^b  

^a UNIVERSITY OF VALENCIA   (Spain)

^b INSTITUTE OF APPLIED PHYSICS   (Moldova)

Author keywords

coordination chemistry; lanthanoids; ligand field; magnetic anisotropy; magnetic properties; molecular magnetism; point charges model; rare earths; single ion magnets; spin Hamiltonian

Indexed keywords

CO-ORDINATION CHEMISTRIES; LANTHANOIDS; LIGAND FIELD; MOLECULAR MAGNETISM; POINT CHARGE; SINGLE ION; SPIN HAMILTONIAN;

COORDINATION REACTIONS; MAGNETIC ANISOTROPY; MAGNETIC PROPERTIES; MAGNETIC SUSCEPTIBILITY; MAGNETIZATION; METAL IONS; RARE EARTHS;

HAMILTONIANS;

COORDINATION COMPOUND; LANTHANIDE;

ARTICLE; CHEMISTRY; COMPUTER PROGRAM; MAGNETISM; QUANTUM THEORY; STATIC ELECTRICITY; TEMPERATURE;

COORDINATION COMPLEXES; LANTHANOID SERIES ELEMENTS; MAGNETIC PHENOMENA; QUANTUM THEORY; SOFTWARE; STATIC ELECTRICITY; TEMPERATURE;

EID: 84880134886     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23341     Document Type: Article

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