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    • Cation-inert gas atom interactions: A look into charge transfer energetics

      K K Das S P Bhattacharyya

      Physical and Theoretical Volume 100 Issue 6 December 1988 pp 509-517

    • Fulltext

       

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/100/06/0509-0517

    • Keywords

       

      Ion-atom interactions; charge transfer in hard-hard interactions; semi-empirical ion-noble gas atom potential; SCF calculations on cation-inert gas systems

    • Abstract

       

      The charge-transfer energetics of interactions in a series of closed-shell cation-inert gas pairs is studied by using a model based on the electronegativity equalization principle. These results arc compared with those obtained from SCF calculations carried out at the STO-3G level. A model interaction potential is tested for these systems. The possible effect of an additional electrostatic factor in the charge transfer process is investigated.

    • Author Affiliations

       

      K K Das1 2 S P Bhattacharyya1

      1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta - 700 032, India
      2. Department of Chemistry, North Bengal University, Darjeeling - 734 430, India

    • Dates

       
      Published
      December 1988
      Manuscript received
      2 April 1988
      Manuscript revised
      21 July 1988

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