Theoretical Study of Hyperpolarizabilities in Crystalline m-Nitroaniline
A variational−perturbation method in terms of molecular orbitals (MOs) has been developed to study the effect of a permanent crystal field on hyperpolarizability (β) in van der Waals organic crystals. The method has the advantage of giving a numerical value of the dipole moment for each fragment mol...
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| Veröffentlicht in: | The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 1997-05, Vol.101 (20), p.3762-3768 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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