Overview
- Study in Theoretical Chemistry, Spectroscopy and Astrochemistry
- Includes supplementary material: sn.pub/extras
Part of the book series: BestMasters (BEST)
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Table of contents (4 chapters)
Keywords
About this book
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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Bibliographic Information
Book Title: Highly Accurate Spectroscopic Parameters from Ab Initio Calculations
Book Subtitle: The Interstellar Molecules l-C3H+ and C4
Authors: Christopher J. Stein
Series Title: BestMasters
DOI: https://doi.org/10.1007/978-3-658-14830-0
Publisher: Springer Spektrum Wiesbaden
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Fachmedien Wiesbaden GmbH, part of Springer Nature 2016
Softcover ISBN: 978-3-658-14829-4Published: 03 August 2016
eBook ISBN: 978-3-658-14830-0Published: 25 July 2016
Series ISSN: 2625-3577
Series E-ISSN: 2625-3615
Edition Number: 1
Number of Pages: XIV, 63
Number of Illustrations: 24 b/w illustrations
Topics: Computer Applications in Chemistry, Physical Chemistry, Math. Applications in Chemistry