Theoretical Investigation of the Second-Order Nonlinear Optical Properties of Helical Pyridine–Pyrimidine Oligomers
✍ Scribed by Edith Botek; Frédéric Castet; Benoît Champagne
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 518 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0947-6539
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract On the basis of ZINDO methods, according to the sum‐overstates (SOS) expression, the program for the calculation of the second‐order nonlinear optical susceptibilities β~ijk~ and β~μ~ of molecules was devised, and the structures and nonlinear optical properties of unsymmetric bis(phenyl
## Abstract AM1 semi‐empirical method was used to optimize the barbituric acid derivatives substituted with glucosyl **B**~1–5~(series **B**), and the thiobarbituric acid derivatives substituted with glucosyl **T**~1–5~ (series**T**). Based on the optimized structures, INDO/CI method was adopted to
The second-order nonlinear optical (NLO) properties of the Cp\*Co(C(2)H(5))(2)C(2)B(4)H(3)-expanded (metallo)porphyrins (Cp\* = C(5)Me(5)) have been investigated by using ab inito RHF and density functional theory (DFT) methods. The investigation shows that the compound with expand porphyrin possess
Again, a nonlinear least-squares analysis of the HRS signal versus [M] 0 delivers K and b MC . A similar relation can be derived for the spectrophotometric analysis.