Ab initio studies of the dipole polarizabilities of conjugated molecules Part 1. Ethene and benzene
✍ Scribed by Alan Hinchliffe; Humberto J. Soscún M.
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 549 KB
- Volume
- 300
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
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High-and low-energy scattering properties, namely, Compton profiles Ž . and polarizability, respectively, were calculated at the configuration interaction CI level Ž . from molecular orbitals expressed in the linear combination of atomic orbitals LCAO model for 14 electron diatomic molecules. Extend
## Abstract The ^1^H NMR spectra of 24 compounds containing the ester group are given and assigned. These data were used to investigate the effect of the ester group on the ^1^H chemical shifts in these molecules. These effects were analysed using the CHARGE model, which incorporates the electric f