Evaluation of quantum chemistry calculation methods for conformational analysis of organic molecules using <i>A</i>-value estimation as a benchmark test

DOI Open Access

Description

<jats:p> <jats:italic>A</jats:italic>-values of 20 substituents were estimated by quantum chemistry calculations of different theoretical levels.</jats:p>

Journal

  • RSC Advances

    RSC Advances 13 35904-35910, 2023-01-01

    Royal Society of Chemistry (RSC)

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