Description
Highly Accurate Spectroscopic Parameters from Ab Initio Calculations, 1st ed. 2016
The Interstellar Molecules l-C3H+ and C4
BestMasters Series
Author: Stein Christopher J.
Language: EnglishSubject for Highly Accurate Spectroscopic Parameters from Ab Initio...:
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Description
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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.
Study in Theoretical Chemistry, Spectroscopy and Astrochemistry
Includes supplementary material: sn.pub/extras