Квантовохімічне моделювання впливу адсорбції молекул води та метанолу на параметри фазового переходу діоксиду ванадію

A theoretical; study on the effect of interaction between vanadia surface and wateror methanol molecules on the temperature of phase transition (PTT) has been carried out within the frameworks of Hartree-Fock-Roothaan method with use of minimal cluster model. The phase before transition was singlet...

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Bibliographic Details
Date:2015
Main Authors: Kaurkovskaya, V. N., Grebenyuk, A. G., Lobanov, V. V.
Format: Article
Language:Ukrainian
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2015
Online Access:https://surfacezbir.com.ua/index.php/surface/article/view/565
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Journal Title:Surface
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