The values of the dipole moments μ a(S 1) and μ a(S 2) of azulene in its first and second excited singlet state were μ a(S 1) = (1.88 ± 0.23) × 10 30 C m and μ a(S 2) = (1.16 ± 0.42) × 10 30 C m. The signs were determined relative to the dipole moment ...
Our best values for the dipole moment, the mean dipole polarizability and the anisotropy of the dipole polarizability are z = 0·2783 ea0, e2a20E-1h and ± = 1·15e2a20E-1h. The present value of the dipole moment helps to resolve the discrepancy between the available experimental data ...
The techniques required for the evaluation of dipole moment and polarizability derivatives are discussed. Several alternative formulae are given for the polarizability derivatives.
The model has been parameterized for the elements H, C, N, O, F, and Cl from quantum chemical calculations of the molecular polarizability and dipole moment for 161 molecules at the Hartree鈥揊ock level. The atomic charge has been divided into a nuclear charge and an electronic contribution,...
Librando, V.; Alparone, A.; Minniti, Z. Computational study on dipole moment, polarizability and second hyperpolarizability of nitronaphthalenes. Journal of Molecular Structure: THEOCHEM. 2008, 856, pp. 105-111.Librando V, Alparone A, Minniti Z (2008) Computational study on dipole moment, ...
The polarized infrared and Raman spectra of α-T6 single crystal: An experimental and theoretical study the HF/6-31 G*level of the theory to obtain the harmonic frequencies and the dipole moment and polarizability tensor derivatives of the α-T6 molecule... A Degli Esposti,M Fanti,M Mucc...
The origin of transition dipole-moment polarizability and hyperpolarizability in organic materials was investigated using electroabsorption (EA) spectroscopy. It is well established that the following three nonlinear optical properties can be derived from the analysis of EA spectrum; (1) the transition di...
The electrical dipole moment (μ) and first hyperpolarizability (βo) values have been computed using DFT/B3LYP-6-31G(d,p) method. The calculated result (βo) shows that the 3-MDP might have nonlinear optical (NLO) behaviour.K. Anandhy...
Related to Dipole moments:Molecular dipole moment dipole moment n. 1.The product of either charge in an electric dipole with the distance separating them. 2.The product of the strength of either pole in a magnetic dipole with the distance separating them. ...
Fig. 3.9 shows the virtual axial dipole moment (VADM) over the past 7.2 kyr determined from the intensity of magnetization of crustal rocks and man-made artifacts. Here, “virtual” refers to the fact that this time series was constructed from globally distributed measurements of magnetic intensit...