✦ LIBER ✦
Vibrational versus electronic first hyperpolarizabilities of mono- and disubstituted benzenes: An ab initio coupled Hartree–Fock investigation
✍ Scribed by Benoît Champagne
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 202 KB
- Volume
- 65
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Hartree᎐Fock 6-31G level by using coupled Hartree᎐Fock and the double harmonic v Ž . e Ž . oscillator approximations, respectively. Although the  0 r 0 ratio is slightly larger
Ž . than unity and rather constant with respect to the substituent s , it turns out, for the e Ž . monosubstituted compounds, that the variations of  0 upon substitution can be most L v Ž . accounted for by the mesomeric effects, whereas for  0 , the inductive effects are also L