Przeglądaj Wydział Fizyki Technicznej, Informatyki i Matematyki Stosowanej / Faculty of Technical Physics, Information Technology and Applied Mathematics / W7 wg Temat "adsorpcja energii"
(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.