Why iron? A spin-polarized conceptual density functional theory study on metal-binding specificity of porphyrin

Subjects

Subjects :

Density functionals -- Usage
Iron -- Atomic properties
Iron -- Chemical properties
Organometallic compounds -- Chemical properties
Organometallic compounds -- Structure
Particle spin -- Analysis
Porphyrins -- Chemical properties
Porphyrins -- Structure
Ruthenium -- Atomic properties
Ruthenium -- Chemical properties
Chemicals, plastics and rubber industries

Details

Language :

English

ISSN :

10895639

Volume :

114

Issue :

21

Database :

Gale General OneFile

Journal :

Journal of Physical Chemistry A

Publication Type :

Academic Journal

Accession number :

edsgcl.230194193