The effect of multiplicity on the size of iron(II) and the structure of iron(II) porphyrins

Journal of Physical Chemistry A

Volumn 114, Issue 37, 2010, Pages 10315-10319

  Walker, Victoria E J ^a   Castillo, Norberto ^b   Matta, Chérif F ^a,c   Boyd, Russell J ^a  

^a DALHOUSIE UNIVERSITY   (Canada)

^b UNIVERSITY OF CALGARY   (Canada)

^c MOUNT SAINT VINCENT UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC VOLUMES; AXIAL LIGAND; BOND CRITICAL POINTS; BONDING ENVIRONMENT; BONDING INTERACTIONS; ELECTRON DENSITIES; FREE ATOMS; IMIDAZOLIUM; IRON ATOMS; NITROGEN ATOM; OUT-OF-PLANE DISPLACEMENT; PORPHYRIN COMPLEXES; PORPHYRIN RINGS; QUANTUM THEORY OF ATOMS IN MOLECULES; QUINTET STATE; SPATIAL SIZE; SPIN STATE; STRUCTURAL STUDIES; TRIPLET STATE;

ATOMS; BOND LENGTH; COMPLEXATION; DENSITY FUNCTIONAL THEORY; PORPHYRINS; QUANTUM THEORY; SPIN DYNAMICS;

IRON COMPOUNDS;

IRON; METALLOPORPHYRIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; PARTICLE SIZE; QUANTUM THEORY;

IRON; METALLOPORPHYRINS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PARTICLE SIZE; QUANTUM THEORY;

EID: 77956779695     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp105842k     Document Type: Article

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