RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I

@article{Rocha2006RM1AR,
  title={RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I},
  author={Gerd Bruno Rocha and Ricardo Oliveira Freire and Alfredo Mayall Simas and James J. P. Stewart},
  journal={Journal of computational chemistry},
  year={2006},
  volume={27 10},
  pages={1101-11}
}
Twenty years ago, the landmark AM1 was introduced, and has since had an increasingly wide following among chemists due to its consistently good results and time-tested reliability--being presently available in countless computational quantum chemistry programs. However, semiempirical molecular orbital models still are of limited accuracy and need to be improved if the full potential of new linear scaling techniques, such as MOZYME and LocalSCF, is to be realized. Accordingly, in this article we… CONTINUE READING

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