Highly Accurate Spectroscopic Parameters from Ab Initio Calculations The Interstellar Molecules l-C3H+ and C4 /

• Main Author: Stein, Christopher J. (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Wiesbaden : Springer Fachmedien Wiesbaden : Imprint: Springer Spektrum, 2016.
• Series: BestMasters
• Subjects: Chemistry.; Chemoinformatics.; Chemometrics.; Physical chemistry.; Computer Applications in Chemistry.; Physical Chemistry.; Math. Applications in Chemistry.

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 avai...

Table of Contents:

• Previous Experimental and Theoretical Results for l-C3H+ and C4
• Theoretical Methods
• Results for l-C3H+
• Results for C4 in its X3Σg-Ground State.