MO calculations on the absorption spectr
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K.Ya. Burshtein; A.A. Bagatur'yants; M.V. Alfimov
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Article
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1995
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Elsevier Science
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English
β 359 KB
The interaction energy between dipole moments of electronic transitions in the monomers and the shape of absorption bands of organic dimers are calculated by the CNDO/S-CI method. It is found that the through-space resonance interaction between ~r orbitals of the monomers has a strong effect on the