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Intensity in the Raman effect III. Halogen substituted methanes. A study on bond polarizability

✍ Scribed by W. Holzer


Publisher
Elsevier Science
Year
1968
Tongue
English
Weight
306 KB
Volume
27
Category
Article
ISSN
0022-2852

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✍ Li Juan Cao; An Yong Li; Li Xu; Ying Zhang 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 393 KB

## Abstract Density functional method B3LYP plus the AUG‐cc‐pVDZ and AUG‐cc‐pVTZ basis sets is used to investigate ring normal modes of halogen‐substituted pyridines involved in the N**···**HX H‐bonds with HX (X = F, Cl). The results demonstrated that the formation of hydrogen bond leads to an inc