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An ab Initio MO Study on the Structures and Electronic States of Hydrogen-Bonded O 3 −HF and SO 2 −HF Complexes

✍ Scribed by Tachikawa, Hiroto; Abe, Shigeaki; Iyama, Tetsuji


Book ID
127234793
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
46 KB
Volume
40
Category
Article
ISSN
0020-1669

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📜 SIMILAR VOLUMES


An ab initio SCF-MO study of the weakly
✍ 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