An updated version of the computational package SIMPRE that uses the standard conventions for Stevens crystal field parameters

Journal of Computational Chemistry

Volumn 35, Issue 26, 2014, Pages 1930-1934

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

^a UNIVERSITY OF VALENCIA   (Spain)

^b INSTITUTE OF CHEMISTRY   (Moldova)

Author keywords

coordination chemistry; crystal field parameters; lanthanoid complexes; single ion magnets; single molecule magnets

Indexed keywords

COORDINATION REACTIONS; MAGNETS; SOFTWARE PACKAGES;

CO-ORDINATION CHEMISTRIES; CRYSTAL FIELD PARAMETER; LANTHANOID COMPLEXES; SINGLE ION; SINGLE-MOLECULE MAGNET; COMPUTATIONAL PACKAGE;

BERYLLIUM COMPOUNDS;

EID: 84906951132     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23699     Document Type: Article

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