A first-principles density-functional calculation of the electronic and vibrational structure of the key melanin monomers

Journal of Chemical Physics

Volumn 120, Issue 18, 2004, Pages 8608-8615

  Powell, B J ^a   Baruah, T ^b,c   Bernstein, N ^b   Brake, K ^a   McKenzie, Ross H ^a   Meredith, P ^a   Pederson, M R ^b  

^a UNIVERSITY OF QUEENSLAND   (Australia)

^b NAVAL RESEARCH LABORATORY   (United States)

^c GEORGETOWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMACROMOLECULES; DENSITY FUNCTIONAL CALCULATIONS; PHOTOBIOLOGY; PHOTOPROTECTIVE PROPERTIES;

CROSSLINKING; ELECTRONIC STRUCTURE; LIGHT ABSORPTION; MACROMOLECULES; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUCLEIC ACIDS; PIGMENTS; RAMAN SPECTROSCOPY; REDOX REACTIONS;

MONOMERS;

BENZOQUINONE DERIVATIVE; HYDROQUINONE; HYDROQUINONE DERIVATIVE; INDOLE DERIVATIVE; MELANIN; SEMIQUINONE RADICALS;

ARTICLE; BIOCHEMISTRY; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; HYDROGEN BOND; METABOLISM; METHODOLOGY; OXIDATION REDUCTION REACTION; PHYSICAL CHEMISTRY; RAMAN SPECTROMETRY; STATISTICAL MODEL;

BENZOQUINONES; BIOCHEMISTRY; CHEMISTRY, PHYSICAL; ELECTRONS; HYDROGEN BONDING; HYDROQUINONES; INDOLEQUINONES; MELANINS; MODELS, MOLECULAR; MODELS, STATISTICAL; OXIDATION-REDUCTION; SPECTRUM ANALYSIS, RAMAN;

EID: 2542425585     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1690758     Document Type: Article

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