On the choice of coordinates in anharmonic theoretical vibrational spectroscopy: Harmonic vs. anharmonic coupling in vibrational configuration interaction-Reference-Cited by-同舟云学术

On the choice of coordinates in anharmonic theoretical vibrational spectroscopy: Harmonic vs. anharmonic coupling in vibrational configuration interaction

Published:2019-02-07 Issue:5 Volume:150 Page:054107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Panek Paweł T.¹,Hoeske Adrian A.¹^ORCID,Jacob Christoph R.¹^ORCID

Affiliation:

1. Technische Universität Braunschweig, Institute of Physical and Theoretical Chemistry, Gaußstraße 17, 38106 Braunschweig, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5083186

Reference71 articles.

1. Infrared Spectroscopy and Theoretical Studies on Gas-Phase Protonated Leu-enkephalin and Its Fragments: Direct Experimental Evidence for the Mobile Proton

2. Ion Mobility Spectrometry, Infrared Dissociation Spectroscopy, and ab Initio Computations toward Structural Characterization of the Deprotonated Leucine-Enkephalin Peptide Anion in the Gas Phase

3. Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated Tryptophan

4. Gas-Phase Folding of a Prototypical Protonated Pentapeptide: Spectroscopic Evidence for Formation of a Charge-Stabilized β-Hairpin

5. Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules

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