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Highly Accurate Spectroscopic Parameters from Ab Initio Calculations

Highly Accurate Spectroscopic Parameters from Ab Initio Calculations

Christopher J. Stein / Christopher JStein

66,75 €
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Editorial:
Springer Nature B.V.
Año de edición:
2016
Materia
Química
ISBN:
9783658148294
66,75 €
IVA incluido
Disponible

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Sobre IBD

In this thesis accurate predictions for the spectroscopic parameters of l-C3H+ and C4 are made from state-of-the-art electronic structure calculations. Both molecules are of interest to interstellar cloud chemistry and only scarce experimental information about their rovibrational properties is available. Christopher J. Stein recapitulates the basics of the computational methods applied and gives an in-depth description of the computer program developed for the rovibrational calculations.

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