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The Conformational Energy and Its Derivaties

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

Abstract

In this chapter we shall discuss the calculation of potential energy associated with molecular conformations. Having obtained cartesian atomic coordinates defining conformations, and lists of intramolecular interactions, as described in Chapter 3, we are ready to calculate a quantity which in the chemical literature is known as the total molecular potential energy or the conformational, steric, strain or intramolecular energy.

Keywords

Force Field Torsional Angle Versus Versus Versus Versus Potential Energy Function Versus Versus Versus Versus Versus 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin · Heidelberg 1977

Authors and Affiliations

  • Kjeld Rasmussen
  • Svetozar R. Niketić

There are no affiliations available

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