• Mathematical methods for the analysis of charge densities from x-ray diffraction

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    • Keywords


      Electron density modelling; theoretical approaches; x-ray diffraction; charge densities

    • Abstract


      Accurate x-ray and neutron studies have demonstrated that atomic deformations due to chemical bonding can be reliably mapped. Several new mathematical techniques which have been devised to obtain quantitative information from these maps are discussed along with their relative merits and demerits. Methods of obtaining theoretical densities modified to resemble the experimental framework are explained. The implications of these modified models are outlined.

    • Author Affiliations


      T N Guru Row1

      1. Physical Chemistry Division, National Chemical Laboratory, Pune - 411 008, India
    • Dates

  • Journal of Chemical Sciences | News

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