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Effects of Adsorbate Molecules on the Quadrupolar Interaction of Framework Aluminum Atoms in Dehydrated Zeolite H,Na-Y

โœ Scribed by Jiao, Jian; Kanellopoulos, Johanna; Behera, Babita; Jiang, Yijiao; Huang, Jun; Reddy Marthala, V. R.; Ray, Siddharth S.; Wang, Wei; Hunger, Michael


Book ID
126088606
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
163 KB
Volume
110
Category
Article
ISSN
0022-3654

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Vibrational frequency shifts of diatomic
โœ Laure Koubi; Monique Blain; Evelyne Cohen de Lara; Jean-Marie Leclerq ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 558 KB

Ab initio calculations on H2 and N2 and on the same molecules in the presence of a Na+ cation are presented. The equilibrium configuration and the vibrational frequency shift due to the interaction are calculated. The potential energy surfaces are obtained by local osculatory interpolations and extr