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Description
Title: | Full Dimensional Potentials, Dipole Moment Surfaces And (ro)vibrational Calculations For H5+, H7+ And Hoco |
Author(s): | Bowman, Joel |
Contributor(s): | Wang, Yimin; Carter, Stuart |
Subject(s): | Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions |
Abstract: | I will describe progress in the first-principles calculations of ``line-list" ro-vibrational spectra of H$_{5}^{+}$, D$_{5}^{+}$ and HOCO and low-resolution spectrum of H$_{7}^{+}$, along with insights into the internal motions of these species. The calculations make use of full-dimensional ab initio potential and dipole moment surfaces and the code "MULTIMODE". |
Issue Date: | 2014-06-18 |
Publisher: | International Symposium on Molecular Spectroscopy |
Citation Info: | Bowman, J.; Wang, Y.; Carter, S. FULL DIMENSIONAL POTENTIALS, DIPOLE MOMENT SURFACES AND (RO)VIBRATIONAL CALCULATIONS FOR H5+, H7+ AND HOCO. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.WG14 |
Genre: | Conference Paper / Presentation |
Type: | Text |
Language: | English |
URI: | http://hdl.handle.net/2142/50796 |
DOI: | https://doi.org/10.15278/isms.2014.WG14 |
Rights Information: | Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/ |
Date Available in IDEALS: | 2014-09-17 2015-04-14 |