Browsing by Subject "dipole polarizability"
Now showing items 1-3 of 3
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Ab Initio studies of the excited state polarizabilities of Ozone and Thiozone
(2005)We report an Ab Initio CIS (D) study of the electric dipole polarizability and first hyperpolarizability for the ground and five lowest electronic excited singlet states of ozone and thiozone. Optimized molecular geometries ... -
Enhancement of molecular polarizabilities by the push-pull mechanism; a DFT study of substituted benzene, furan, thiophene and related molecules
(Versita, 2006)We report Density Functional Theory (DFT) studies of the dipole polarizabilities of benzene, furan and thiophene together with a number of substituted and related systems. All geometries were optimized (and characterized) ... -
On the electronic excited states of sulfur dioxide
(Elsevier, 2005)We report Ab Initio calculations for the ground and lowest electronic excited states of sulfur dioxide. Molecular geometries, together with the electric dipole moment, dipole polarizability and first hyperpolarizability ...