2018, vol. 39

Stały URI dla kolekcjihttp://hdl.handle.net/11652/2753

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20181

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Autorsearch.filters.applied.operator.equals: search.filters.author.Kania, SylwesterTematsearch.filters.applied.operator.equals: search.filters.subject.adsorpcja energii

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  • Pozycja
    Ab initio investigation of ethanol-tetracene interactions during adsorption
    (Wydawnictwo Politechniki Łódzkiej, 2018) Kania, Sylwester; Kościelniak-Mucha, Barbara; Słoma, Piotr; Wojciechowski, Krzysztof
    Ab initio calculations presented in this work are performed to investigate the geometry, interaction energy and bonding properties of binary complexes formed between neutral ethanol and tetracene molecules. Two different geometries were applied for the study. The interaction energies between molecules in the complex posses minimum at the distance of about 3.6 A among oxygen atom in ethanol and the neighbouring carbon atom of tetracene skeleton.