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Theoretical determination of molecular structure. Conformation of some benzo[10]-annulenes and [10]-annulene

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Summary

The AM1 method was used to carry out a theoretical study of optimized geometries and energies of some benzoannulenes. The transition state of the transformation of the benzo[10]annulene was also determined. The transition state has been located.

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Authors and Affiliations

  1. Departamento de Quimica Fisica, Universidad de Valladolid, E-47005, Valladolid, España

    Jose Ma Hernando-Huelmo & Ma Jesús Rioseras-García

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  1. Jose Ma Hernando-Huelmo
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  2. Ma Jesús Rioseras-García
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Hernando-Huelmo, J.M., Rioseras-García, M.J. Theoretical determination of molecular structure. Conformation of some benzo[10]-annulenes and [10]-annulene. Theoret. Chim. Acta 87, 233–239 (1993). https://doi.org/10.1007/BF01112935

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  • DOI: https://doi.org/10.1007/BF01112935

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