Quantum chemistry of nanosystems

Edited by Academician of the National Academy of Sciences of Ukraine M.T. Kartel and Doctor of chemical sciences, Professor V.V. Lobanov

Authors: Bakalinska O.M., DatsyukA.M., Demianenko E.M., Filonenko O.V., Grebenyuk A.G.,Gun'ko V.M., Karpenko O.S., Kartel M.T., Kazakova O.O., Lobanov V.V., Terebinska M.I., Tkachuk O.I., Sencha-Hlevatska (Voitko)K.V

ISBN 978-966-999-401-1 

Book 

The authors’ monograph presents the results of the scientists of the O.O. Chuiko Institute of Surface Chemistry named (ISC) on the application of methods of molecular quantum chemistry to elucidate the structure and properties of nanoparticles and related nanosystems. The main calculation schemes of quantum chemistry are presented, which with certain limitations and additions can be applied to a wide range of supramolecular and nanosystems. Taking into account the main directions of scientific researches of ISC, the monograph pays great attention to the modeling of carbon, oxide, biological nanosystems.

The book is intended for graduate students, teachers, researchers and specialists who study fundamental and applied aspects of the surface of a solid body, interphase phenomena, as well as conduct researches in the field of physics, chemistry and technology of quantum-size systems.