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AB Initio Studies on the Structure and Phonon Spectra of Simple Polymers

  • Alfred Karpfen
Part of the NATO ASI Series book series (ASIC, volume 123)

Abstract

The determination of the structure of molecules and solids is one of the most important topics of both theoretical chemistry and physics and of experimental research in the various fields of spectroscopy. Knowledge of the specific arrangement of atoms in stable molecular species and in condensed matter and the development of concepts which explain why certain structures are preferred and others disfavored is the basis for the interpretation of many experimental results. An accurate description of energy surfaces of molecules, clusters, polymers and solids is therefore of central importance for the understanding of their static and dynamic properties.

Keywords

Formic Acid Acta Cryst Equilibrium Geometry Infinite Chain Hydrogen Cyanide 
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

© D. Reidel Publishing Company 1984

Authors and Affiliations

  • Alfred Karpfen
    • 1
  1. 1.Institut für Theoretische Chemie und StrahlenchemieUniversität WienWien, WähringerstrAustria

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