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Ab initio study of the hydrogen bonded complexes CH3⋯HF and CH3F⋯HF

✍ Scribed by Alan Hinchliffe


Book ID
119116002
Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
253 KB
Volume
104
Category
Article
ISSN
0166-1280

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📜 SIMILAR VOLUMES


Hydrogen bonding in HCN…HF, HCN…HCl, CH3
✍ Alan Hinchliffe 📂 Article 📅 1981 🏛 Elsevier Science ⚖ 411 KB

Large scale gaussian orbital SCF-MO results are reported for the title hydrogen-bonded complexes. Calculated R(N...H) distances, hydrogen bond dissociation energies and the change in electric dipole moment on complex formation agree well with the results obtained from microwave studies in all cases