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An ab Initio Study of Linear XH−HX Hydrogen Halide Anions

✍ Scribed by Rauk, A.; Armstrong, D. A.


Book ID
125940766
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
49 KB
Volume
106
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES


Hydrogen bonding in cyclopropane…HX (X =
✍ Alan Hinchliffe 📂 Article 📅 1982 🏛 Elsevier Science ⚖ 215 KB

SCF-MO results using a large gaussian sp-basis set are given for the hydrogen-bonded complexes of cyclopropane with HF and HCl. The complexes are calculated to have edge-on geometry, as found experimentally. Well depths, Mulliken population indices and. one-electron properties are given for the com

Hydrogen bonding in thiirane…HX (X=F,Cl)
✍ Alan Hinchliffe 📂 Article 📅 1982 🏛 Elsevier Science ⚖ 218 KB

SCF-MO calculations using a large atomic orbital basis set predict that both heterodimers C2HIS...HF and C2H4S...HC1 are stable, with non-planar equilibrium geometries. Well depths, Mulliken population indices and several one-electron properties are reported for the heterodimers.