Influence of different transition metals in phthalocyanines on their interaction energies with volatile organic compounds: An experimental and computational study

Journal of Molecular Modeling

Volumn 13, Issue 1, 2007, Pages 11-17

  Fietzek, Christopher ^a   Mack, Hans Georg ^a  

^a UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

Chemical sensor; Interaction energy; Intercalation; Phthalocyanine

Indexed keywords

ACETONITRILE; BUTYLAMINE; NICKEL; PALLADIUM; PHTHALOCYANINE DERIVATIVE; TETRACHLOROETHYLENE; TOLUENE; TRANSITION ELEMENT; VOLATILE ORGANIC COMPOUND; ZINC;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL MODEL; CHEMICAL STRUCTURE; EXPERIMENTAL STUDY; MATHEMATICAL COMPUTING; PARTITION COEFFICIENT; PRIORITY JOURNAL; SENSOR;

ACETONITRILES; BUTYLAMINES; CHEMISTRY, ORGANIC; COMPUTER SIMULATION; INDOLES; METALS; MODELS, CHEMICAL; MODELS, MOLECULAR; POLYURETHANES; SOFTWARE; TETRACHLOROETHYLENE; THERMODYNAMICS; TOLUENE; ZINC;

EID: 37849188846     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-006-0118-y     Document Type: Article

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