Electron propagator calculations show that alkyl substituents alter porphyrin ionization energies

Journal of the American Chemical Society

Volumn 127, Issue 23, 2005, Pages 8240-8241

  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

ALKYL GROUP; MACROCYCLIC COMPOUND; METALLOPORPHYRIN; PORPHYRIN; SCAFFOLD PROTEIN;

AB INITIO CALCULATION; ARTICLE; BINDING AFFINITY; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONJUGATION; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRON TRANSPORT; ENERGY; IONIZATION; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; NORMAL DISTRIBUTION; OXIDATION; PARTICLE SIZE; POLARIZATION; PROTON NUCLEAR MAGNETIC RESONANCE; ULTRAVIOLET RADIATION; X RAY PHOTOELECTRON SPECTROSCOPY;

ALKYLATION; MODELS, MOLECULAR; OXIDATION-REDUCTION; PORPHYRINS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 20444434308     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0507721     Document Type: Article

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