| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9591790 | Journal of Molecular Structure: THEOCHEM | 2005 | 18 Pages |
Abstract
The restricted Hartree-Fock (RHF) methods were used for calculation of the hyperpolarizability for each ion. For comparison, analogous calculations were carried out for the closed-shell neutral melamine. The theoretical results can be used in design of new molecular compounds with nonlinear optical properties.
Keywords
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
M. Drozd, M.K. Marchewka,