• Geometry optimization of acetonitrile monomer and dimers using CNDO/force method

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    • Keywords


      Geometry optimization; CNDO/force; acetonitrile monomer and dimers

    • Abstract


      The geometry optimization of monomeric acetonitrile and its dimers is carried out using CNDO/force method. The results are compared with the experimental and already reported theoretical parameters.

    • Author Affiliations


      R Brakaspathy1 Surjit Singh1

      1. Department of Chemistry, Indian Institute of Technology, Madras - 600 036, India
    • Dates

  • Journal of Chemical Sciences | News

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