A density functional theory study of the magnetic exchange coupling in dinuclear manganese(ii) inverse crown structures

Journal of Physical Chemistry A

Volumn 113, Issue 50, 2009, Pages 14008-14013

  Alberola, Antonio ^a   Vélez, Ederley ^c   Polo, Víctor ^b  

^a UNIVERSITAT JAUME I   (Spain)

^b UNIVERSITY OF ZARAGOZA   (Spain)

^c NONE

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; AMIDE LIGANDS; ANTIFERROMAGNETIC COUPLING; B3LYP/6-31G; BASIS SETS; BENZENE MOLECULES; CATIONIC RINGS; CROWN STRUCTURE; DINUCLEAR; EXCHANGE MECHANISM; MAGNETIC EXCHANGE COUPLING; OXYGEN ATOM; SUPEREXCHANGE INTERACTION; UNSTABLE COMPOUNDS;

AMIDES; ANTIFERROELECTRICITY; ANTIFERROMAGNETIC MATERIALS; ANTIFERROMAGNETISM; BENZENE; DYES; EXCHANGE COUPLING; MAGNETIC COUPLINGS; MANGANESE; MANGANESE COMPOUNDS; OXYGEN; SPIN DYNAMICS;

DENSITY FUNCTIONAL THEORY;

HYDROGEN; MANGANESE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DIMERIZATION; MAGNETISM; QUANTUM THEORY; THERMODYNAMICS;

DIMERIZATION; HYDROGEN; MAGNETICS; MANGANESE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 72649092524     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp907200u     Document Type: Article

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