Porphyrin protonation studied by magnetic circular dichroism

Journal of Physical Chemistry A

Volumn 116, Issue 1, 2012, Pages 778-783

  Štěpánek, Petr ^a,b   Andrushchenko, Valery ^a   Ruud, Kenneth ^c   Bouř, Petr ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b CHARLES UNIVERSITY   (Czech Republic)

^c UNIVERSITY OF TROMSØ   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL PROBLEMS; DIELECTRIC MODELS; ELECTRONIC EXCITED STATE; ELECTRONIC TRANSITION; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL DATA; FIRST-PRINCIPLES; MAGNETIC CIRCULAR DICHROISM SPECTROSCOPY; MAGNETIC CIRCULAR DICHROISMS; PH VALUE; PORPHINE; SOLVENT ENVIRONMENTS; SPECTRAL SHAPES; STRUCTURAL STUDIES; THEORETICAL CALCULATIONS; THEORETICAL RESULT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

CALCULATIONS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; DICHROISM; ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; PORPHYRINS; PROTONATION; SPECTROSCOPY;

CIRCULAR DICHROISM SPECTROSCOPY;

EID: 84855822366     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2105192     Document Type: Article

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