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Hydrogen-bonded complexes involving HF and HCl: the effects of electron correlation and anharmonicity

✍ Scribed by R. D. Amos; J. F. Gaw; N. C. Handy; E. D. Simandiras; K. Somasundram

Book ID
104796113
Publisher
Springer
Year
1987
Tongue
English
Weight
910 KB
Volume
71
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES

An ab initio SCF-MO study of the weakly
An ab initio SCF-MO study of the weakly hydrogen bonded complexes CO…HF, CO…HCl, OC…HF and OC…HCl
✍ Alan Hinchliffe 📂 Article 📅 1981 🏛 Elsevier Science ⚖ 280 KB

Large-scale gaussian orbital SCF-MO results are reported for the title molecules. R,(X... H) and De(X...H) values are given, and in either case the complexes OC...HF and DC...HCl are more stable than the corresponding CO...HX complexes. The changes on electronic distribution on complex formation are