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

Stein, Christopher

Couverture souple

ISBN 10 : 3658148292 ISBN 13 : 9783658148294

Editeur : Springer Spektrum, 2016

Synopsis

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.

A propos du livre

À propos de l'auteur

Christopher J. Stein is currently pursuing his PhD degree at the Theoretical Chemistry group of Prof. Dr. Markus Reiher at ETH Zurich. His research is focused on the development of new wave function methods and the automation of quantum-chemical multi-reference calculations.

Détails de l'édition

• Éditeur: Springer Spektrum
• Date d'édition: 2016
• Langue: anglais
• ISBN 10: 3658148292
• ISBN 13: 9783658148294
• Reliure: Broché
• Numéro d'édition: 1
• Nombre de pages: 80
• Coordonnées du fabricant: Springer Nature Customer Service Center GmbH; ProductSafety@springernature.com; ; Europaplatz 3; Heidelberg; 69115; Allemagne