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    • Theoretical studies on hydrogen bonding inπ-electron systems: A note on the structural features of diacetylene-hydrogen fluoride complexes

      Chitrani Medhi S P Bhattacharyya

      Physical and Theoretical Volume 100 Issue 4 August 1988 pp 293-295

    • Fulltext

       

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/100/04/0293-0295

    • Keywords

       

      Ab initio supermolecular SCF calculations; intermolecular interactions; diacetylene-hydrogen fluoride complexes; hydrogen bonding inπ-systems

    • Abstract

       

      Ab initio supermolecular SCF calculations at the STO-3G level are reported for the diacetylene-hydrogen fluoride complexes. The reverse σ-complex is predicted to have somewhat higher stability and H-bond strength than the π-complexes.

    • Author Affiliations

       

      Chitrani Medhi1 S P Bhattacharyya1

      1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta - 700 032, India

    • Dates

       
      Published
      August 1988
      Manuscript received
      7 December 1987
      Manuscript revised
      27 April 1988

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