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Ab initio studies of hydrogen bonding in the complexes of HNC, HCP, FCN, ClCN and BrCN with HF, HCl and HBr

โœ Scribed by Ahmed A. Hasanein; Alan Hinchliffe


Book ID
119116920
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
443 KB
Volume
149
Category
Article
ISSN
0166-1280

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An ab initio SCF-MO study of the weakly
โœ Alan Hinchliffe ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› Elsevier Science โš– 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