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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| Date: | 2015 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | Ukrainian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2015
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| Online Access: | https://surfacezbir.com.ua/index.php/surface/article/view/565 |
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| Journal Title: | Surface |
| Download file: |  |