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Importance of vibrational coupling in the vibrational frequency shifts of diatomic molecules caused by adsorption

โœ Scribed by Tadashi Okawa; Mitsuyuki Soma; Hiroshi Bandow; Kiyoshi Uchida


Book ID
113175772
Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
222 KB
Volume
54
Category
Article
ISSN
0021-9517

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๐Ÿ“œ SIMILAR VOLUMES


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