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Evidence for the presence of superacid nonframework hydroxyl groups in dealuminated HY zeolites

✍ Scribed by G. Garralón; A. Cormat; V. Formés

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
170 KB
Volume
9
Category
Article
ISSN
0144-2449

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✍ Patrick J. O'Malley; Humberto Soscun; Simon J. Collins 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 193 KB

The true minimum energy conformation for HSSiOHAIHS (a cluster mode1 for bridged hydroxyl groups in zeolites) is obtained using ab initio molecular orbital methods at the Hat-tree-Fock and post Hartree-Fock levels. It is demonstrated that previous investigations have used a first-order transition st