𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Hydrogen bonding in ethene ⋯ HCN and ethyne ⋯ HCN: An ab initio SCF-MO study

✍ Scribed by Alan Hinchliffe

Book ID
119116001
Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
244 KB
Volume
104
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Hydrogen bonding in HCN…HF, HCN…HCl, CH3
Hydrogen bonding in HCN…HF, HCN…HCl, CH3CN…HF and CH3CN…HC1; an ab initio SCF-MO study
✍ Alan Hinchliffe 📂 Article 📅 1981 🏛 Elsevier Science ⚖ 411 KB

Large scale gaussian orbital SCF-MO results are reported for the title hydrogen-bonded complexes. Calculated R(N...H) distances, hydrogen bond dissociation energies and the change in electric dipole moment on complex formation agree well with the results obtained from microwave studies in all cases

Hydrogen bonding in oxirane…HF; an ab in
Hydrogen bonding in oxirane…HF; an ab initio SCF-MO study
✍ Alan Hinchliffe 📂 Article 📅 1981 🏛 Elsevier Science ⚖ 264 KB

Large basis set gaussian orbital SCF-MO calculations including geometry optimization are reported for the hydrogen bonded complex oxirane...HF. R,(O... H) is predicted to be 181.2 pm, D,(O... H) is predicted to be 34.6 kJ mol-1 and the change in dipole moment on complex formation is predicted to be

Ab initio SCF-MO study of hydrogen bondi
Ab initio SCF-MO study of hydrogen bonding in benzene…HF
✍ Alan Hinchliffe 📂 Article 📅 1982 🏛 Elsevier Science ⚖ 230 KB

A double zeta quality SCF-MO calculation is reported for the C6H6...HF complex. The hydrogen bond distance and strength are reported together with various one-electron properties. Changes in electron distribution on complex formation are discussed. The likely accuracy of the results is inferred f