Bulletin of the Korean Chemical Society

  • 제11권2호
  • /
  • Pages.127-131
  • /
  • 1990
  • /
  • 0253-2964(pISSN)
  • /
  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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A Brownian Dynamics Method for Systems of Nonspherical Brownian Particles

  • Dongsup Kim (Department of Chemistry, Seoul National University) ;
  • Sangyoub Lee (Department of Chemistry, Seoul National University)
  • 발행 : 1990.04.20
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초록

A Brownian dynamics method is proposed for simulating the coupled translational and rotational diffusive motions of nonspherical Brownian particles. Results of test simulations to assess the accuracy of the algorithm are presented.

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참고문헌

  1. Bull. Korean Chem. Soc. v.1 J. Stat. Phys. E.M.Simon;B.H.Zimm
  2. Bull. Korean Chem. Soc. v.51 J. Chem. Phys. E.M.Simon
  3. Bull. Korean Chem. Soc. v.62 J. Chem. Phys. D.L.Ermak
  4. Bull. Korean Chem. Soc. v.35 J. Comput. Phys. D.L.Ermak;H.Buckholtz
  5. Bull. Korean Chem. Soc. v.B10 Phys. Rev. J.H.Weiner;R.E.Forman
  6. Bull. Korean Chem. Soc. v.47 Mon. Phys. M.P.Allen
  7. Bull. Korean Chem. Soc. v.45;44 Mol. Phys.;ibid W.F.van Gunsteren;H.J.C.Berendsen
  8. Bull. Korean Chem. Soc. Ph.D. Thesis, Havard University S.Lee

피인용 문헌

  1. An efficient Brownian dynamics method for calculating the time-dependent rate coefficients of diffusion-influenced reactions vol.111, pp.22, 1999, https://doi.org/10.1063/1.480363