Electronic first hyperpolarizability of polymethineimine chains with donor and acceptor groups
✍ Scribed by Denis Jacquemin; Benoît Champagne; Jean-Marie André
- Book ID
- 117540430
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 644 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0379-6779
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Various hybrid functionals (B3LYP, B97-2, PBE0, BMK, BH&HLYP, CAM-B3LYP, and LC-xPBE) implemented in density functional theory were applied to give estimate of static first hyperpolarizabilty (b 0 ) of (E)benzaldehyde phenylhydrazone designated as (E)-BPH. Against those of MP2 computations as a func
Ab initio CPHF calculations of static hyperpolarizabilities (fl) were carried out in order to clarify the effects of nitrogen-atom substitution in ~-conjugated chains with donor-acceptor substituents. The fl values decrease gradually with the number of nitrogen atoms, and change drastically with the