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Ab initio Calculations of Absorption Coefficients of Small Carbon Hydride Molecules

Published online by Cambridge University Press:  12 April 2016

S.D. Peyerimhoff
S.D. Peyerimhoff*
Affiliation:
Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstraße 12, 53115 Bonn, Germany

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Quantum chemical methods have become a powerful tool for investigating the electronic structure of small molecules in ground and excited states. This is particularly true for species which are not easily accessible by experiment, either because they are short-lived, for example, or unstable under laboratory conditions or difficult to detect since their signals are hidden by other, prevailing molecules. In this sense theoretical methods are of special importance for molecules in atmospheric, stellar and interstellar environments.

Type
Research Article
Information
International Astronomical Union Colloquium , Volume 146: Molecules in the Stellar Environment , 1994 , pp. 326 - 337
Copyright
Copyright © Springer-Verlag 1994

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