Molecular Topology and Geometry

  • Svetozar R. Niketić
  • Kjeld Rasmussen
Part of the Lecture Notes in Chemistry book series (LNC, volume 3)

Abstract

Three main topics will be considered in this chapter, each of then corresponding to one of three major computing steps preceeding the calculation and minimisation of molecular potential energy and, therefore, all other calculations under the programming system:
  1. (a)

    analysis of molecular topology,

     
  2. (b)

    generation of lists of interactions, and

     
  3. (c)

    building of molecular geometry.

     

Keywords

Cobalt Proline Sine Cyclohexane Deuterium 

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Copyright information

© Springer-Verlag Berlin · Heidelberg 1977

Authors and Affiliations

  • Svetozar R. Niketić
  • Kjeld Rasmussen

There are no affiliations available

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