Molecular Clusters of π-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies
✍ Scribed by Kim, Kwang S.; Tarakeshwar, P.; Lee, Jin Yong
- Book ID
- 119939230
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 619 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0009-2665
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The 26, 27 and 28 mer pentakaidecahedral water clusters were studied by applying the intermediate neglect of differential overlap self-consistent field restricted Hartree-Fock method (INDO SCF RHF) after parameterization for H and O atoms. The 27 and 28 met clusters have one and two water molecules
## Abstract Molecular interactions between π systems having different π‐electron character (benzene, hexafluorobenzene, and borazine), and a Lewis acid/base (borane and ammonia) were theoretically studied. An attractive interaction between benzene, the electron‐rich π system, and borane was observe