Квантово-хімічне дослідження протолітичної рівноваги амоніаку на поверхні кремнезему

Quantum chemical calculations on equilibrium spatial structure and formation energies of hydrated complexes of ammonia molecule on silica surface have been carried out by means of density functional theory method. The mechanism has been examined of ammonia molecule protonation and the most probable...

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Bibliographic Details
Date:2010
Main Authors: Kravchenko, A. A., Grebenyuk, A. G., Lobanov, V. V.
Format: Article
Language:Ukrainian
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2010
Online Access:https://www.cpts.com.ua/index.php/cpts/article/view/20
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Journal Title:Chemistry, Physics and Technology of Surface

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Chemistry, Physics and Technology of Surface