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

  1. Gerd B. Rocha1,
  2. Ricardo O. Freire1,
  3. Alfredo M. Simas1,*,
  4. James J. P. Stewart2

Article first published online: 11 MAY 2006

DOI: 10.1002/jcc.20425

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 27, Issue 10, pages 1101–1111, 30 July 2006

Additional Information

How to Cite

Rocha, G. B., Freire, R. O., Simas, A. M. and Stewart, J. J. P. (2006), RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I. J. Comput. Chem., 27: 1101–1111. doi: 10.1002/jcc.20425

Author Information

  1. 1

    Departamento de Química Fundamental, CCEN, UFPE, 50590-470, Recife PE, Brazil

  2. 2

    Stewart Computational Chemistry, 15210 Paddington, Colorado Springs Colorado 80921-2512

*Departamento de Química Fundamental, CCEN, UFPE, 50590-470, Recife PE, Brazil

Publication History

  1. Issue published online: 11 MAY 2006
  2. Article first published online: 11 MAY 2006
  3. Manuscript Accepted: 27 DEC 2005
  4. Manuscript Received: 25 OCT 2005

Funded by

  • CNPq (Brazilian agency)
  • Instituto do Milênio de Materiais Complexos
  • FACEPE (Programa Primeiros Projetos)
  • Construção do Conhecimento por Agrupamento de Dados (CoCADa)
  • NIH. Grant Number: 2 R44 GM067327-02

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