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      https://www.ias.ac.in/article/fulltext/jcsc/101/03/0235-0242

    • Keywords

       

      MCSCF model; macroscopic solvation; solvent polarization model; MCSCF-reaction field solvation model: INDO-MCSCF solvation model

    • Abstract

       

      An MCSCF model including the effects of solvent polarization is developed. The model is applied within the limitations of INDO approximations to look into the dominant effects of solvent polarization on the electronic structure in the excited states of a model system (e.g.* states of H2CO). Important features of macroscopic solvation-induced reorganization of electron density and some consequence thereof are noted.

    • Author Affiliations

       

      Bharati Bhattacharyya1 Chitrani Medhi1 B R De2 S P Bhattacharyya1

      1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta - 700032, India
      2. Chemistry Department, Garbeta College, Midnapore - 721101, India
    • Dates

       
  • Journal of Chemical Sciences | News

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