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Interaction of selenium clusters with zeolite matrices A and M

✍ Scribed by K. P. Arefiev; O. V. Boev; P. V. Kuznetsov; Yu. P. Surov

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
208 KB
Volume
24
Category
Article
ISSN
0232-1300

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📜 SIMILAR VOLUMES

Interaction of water and methanol with a
Interaction of water and methanol with a zeolite at high coverages
✍ E. Nusterer; P.E. Blöchl; K. Schwarz 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 604 KB

We investigate the interaction of small polar molecules such as water and methanol with a low-aluminum sodalite using first principles density functional molecular dynamics calculations and the projector augmented wave method. Whereas in the low coverage limit methanol is unprotonated, we find that