The He-H

Autor: Michael E, Harding, Filippo, Lipparini, Jürgen, Gauss, Dieter, Gerlich, Stephan, Schlemmer, Ad, van der Avoird

Publikováno v: The Journal of chemical physics. 156(14)

With a He-H

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::bc34b77b3280bf7a188b2f597617407b
https://pubmed.ncbi.nlm.nih.gov/35428397

The He-H-3(+) complex. II. Infrared predissociation spectrum and energy term diagram

Autor: Thomas Salomon, Stefan Brackertz, Oskar Asvany, Igor Savić, Dieter Gerlich, Michael E. Harding, Filippo Lipparini, Jürgen Gauss, Ad van der Avoird, Stephan Schlemmer

Publikováno v: Journal of Chemical Physics, 156, 1-12
Journal of Chemical Physics, 156, 14, pp. 1-12

The rotationally resolved infrared (IR) spectrum of the He–[Formula: see text] complex has been measured in a cryogenic ion trap experiment at a nominal temperature of 4 K. Predissociation of the stored complex has been invoked by excitation of the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f22e0427db1bded43f2bbef3ba6eed63
http://hdl.handle.net/2066/252395

Hyperfine-Resolved Near-Infrared Spectra of H217O

Autor: Luca Bizzocchi, Cristina Puzzarini, Michael E. Harding, F. M. J. Cozijn, Meissa Diouf, Mattia Melosso, Wim Ubachs

Publikováno v: Melosso, M, Diouf, M L, Bizzocchi, L, Harding, M E, Cozijn, F M J, Puzzarini, C & Ubachs, W 2021, ' Hyperfine-Resolved Near-Infrared Spectra of H 2 17 O ', Journal of Physical Chemistry A, vol. 125, no. 36, pp. 7884-7890 . https://doi.org/10.1021/acs.jpca.1c05681
Journal of Physical Chemistry A, 125(36), 7884-7890. American Chemical Society
Journal of Physical Chemistry A

Huge efforts have recently been taken in the derivation of accurate compilations of rovibrational energies of water, one of the most important reference systems in spectroscopy. Such precision is desirable for all water isotopologues, although their

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc5498a79461cc1125eb3b911b6b5cda
https://research.vu.nl/en/publications/f61315e7-aa87-4bee-85f7-9604db38a34b

Infrared action spectroscopy of fundamental nitrilium ions: Protonated vinyl- and ethyl cyanide

Autor: Sven Thorwirth, Oskar Asvany, Michael E. Harding, Pavol Jusko, Michael C. McCarthy, Sandra Brünken, Stephan Schlemmer

Publikováno v: Journal of Molecular Spectroscopy, 386, 1-9
Journal of Molecular Spectroscopy, 386, pp. 1-9

Contains fulltext : 250971.pdf (Publisher’s version ) (Closed access)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af7395023ecd7f5cf7893433c75a19a2
https://doi.org/10.1016/j.jms.2022.111615

The first microsolvation step for furans: New experiments and benchmarking strategies

Autor: Melanie Schnell, Majdi Hochlaf, Leonardo Baptista, Dzmitry S. Firaha, Giovanni Bistoni, Jens Antony, Hannes C. Gottschalk, David M. Benoit, Kai Leonhard, Leif C. Kröger, Fabian Bohle, Frank Neese, Muthuramalingam Prakash, Alexander A. Auer, Andreas Hansen, Inga S. Ulusoy, Stefan Grimme, Max N. Pereira, Michael E. Harding, Wassja A. Kopp, Christof Holzer, Daniel A. Obenchain, Anja Poblotzki, Georg Jansen, Muneerah Mogren Al-Mogren, Małgorzata Krasowska, Ricardo A. Mata, Martin A. Suhm, Cristobal Perez, Wim Klopper, Mariyam Fatima, Halima Mouhib, Rahma Dahmani

Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2020, 152 (16), 18p. ⟨10.1063/5.0004465⟩
The journal of chemical physics, 152 (16), Art.Nr.: 164303
The journal of chemical physics 152(16), 164303 (2020). doi:10.1063/5.0004465

The journal of chemical physics 152(16), 164303 (2020). doi:10.1063/5.0004465
The site-specific first microsolvation step of furan and some of its derivatives with methanol is explored to benchmark the ability of quantum-chemical methods to desc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ca39704029d6ced139a589797fb672e