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

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/096/03-04/0285-0290

    • 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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