Formation of NH<inf>4</inf><sup>+</sup>at the Brønsted site in SAPO catalysts
The catalytic properties of ammonia adsorption on silicoaluminophosphate (SAPO) clusters have been investigated within the framework of the ab initio self-consistent field method. Full optimization of strutures has been carried out at the DZ, DZP and TZ2P levels of theory. Two different types of amm...
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| Main Authors: | , |
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| 格式: | Article |
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2018
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| 在線閱讀: | https://repository.li.mahidol.ac.th/handle/123456789/9549 |
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| 機構: | Mahidol University |