Ab initio electron propagator calculations on the ionization energies of free base porphine, magnesium porphyrin, and zinc porphyrin

Journal of Physical Chemistry A

Volumn 109, Issue 50, 2005, Pages 11596-11601

  Dolgounitcheva, O ^a   Zakrzewski, V G ^a   Ortiz, J V ^a  

^a KANSAS STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON PROPAGATOR; IONIZATION ENERGY; SELF-ENERGIES;

APPROXIMATION THEORY; ELECTRON TRANSITIONS; IONIZATION; PHOTOELECTRON SPECTROSCOPY; PORPHYRINS; POSITIVE IONS;

NITROGEN COMPOUNDS;

ION; MAGNESIUM; PORPHINE; PORPHYRIN; ZINC;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRON;

COMPUTER SIMULATION; ELECTRONS; IONS; MAGNESIUM; MODELS, CHEMICAL; PORPHYRINS; ZINC;

EID: 30544433645     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0538060     Document Type: Article

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