Magnetic coupling constants and spin density maps for heterobinuclear complexes GdCu(OTf)3(bdmap)2(H2O)·THF, [Gd(C4H7ON)4(H2O)3] [Fe(CN)6]·2H2O, and [Gd(C4H7ON)4(H2O)3] [Cr(CN)6]·2H2O: a

Journal of Physical Chemistry A

Volumn 104, Issue 26, 2000, Pages 6295-6300

  Yan, Feng ^a   Chen, Zhida ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPLEXATION; GADOLINIUM COMPOUNDS; GROUND STATE; MAGNETIC PROPERTIES; MOLECULAR STRUCTURE; NEUTRON DIFFRACTION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

BROKEN SYMMETRY; LOCAL DENSITY APPROXIMATION; MAGNETIC COUPLING CONSTANT; SPIN DELOCALIZATION; SPIN DENSITY; SPIN POLARIZATION;

MOLECULAR DYNAMICS;

EID: 0034227796     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp994093m     Document Type: Article

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