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Energy Minimisation

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The Consistent Force Field

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 3))

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Abstract

In this chapter we shall give a summary of the theory underlying the various methods for conformational energy minimisation. We shall focus our attention on the three methods which are iamlemented in our programming system: (1) the method of steepest descent; (2) the Davidon-Fletcher-Powell method; (3) the modified Newton method.

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Authors
  1. Svetozar R. Niketić
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  2. Kjeld Rasmussen
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© 1977 Springer-Verlag Berlin · Heidelberg

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Niketić, S.R., Rasmussen, K. (1977). Energy Minimisation. In: The Consistent Force Field. Lecture Notes in Chemistry, vol 3. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93063-8_5

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  • DOI: https://doi.org/10.1007/978-3-642-93063-8_5

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-08344-3

  • Online ISBN: 978-3-642-93063-8

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