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An ab initio study of the complexes of HCl with the chloromethanes

โœ Scribed by Janet E. Del Bene; Isaiah Shavitt


Book ID
113258152
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
717 KB
Volume
314
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