Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Rafael C, Couto"'
Autor:
Veronica Ideböhn, Roberto Linguerri, Lucas M. Cornetta, Emelie Olsson, Måns Wallner, Richard J. Squibb, Rafael C. Couto, Leif Karlsson, Gunnar Nyman, Majdi Hochlaf, John H. D. Eland, Hans Ågren, Raimund Feifel
Publikováno v:
Communications Chemistry, Vol 6, Iss 1, Pp 1-8 (2023)
Abstract Conventional electron spectroscopy is an established one-electron-at-the-time method for revealing the electronic structure and dynamics of either valence or inner shell ionized systems. By combining an electron-electron coincidence techniqu
Externí odkaz:
https://doaj.org/article/f9eb0ef7f9f0484ea5c4faff4437ddbe
Autor:
Vinícius Vaz da Cruz, Faris Gel’mukhanov, Sebastian Eckert, Marcella Iannuzzi, Emelie Ertan, Annette Pietzsch, Rafael C. Couto, Johannes Niskanen, Mattis Fondell, Marcus Dantz, Thorsten Schmitt, Xingye Lu, Daniel McNally, Raphael M. Jay, Victor Kimberg, Alexander Föhlisch, Michael Odelius
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-9 (2019)
Understanding how nuclear motions affect vibrational motions in molecular liquids remains challenging in modern condensed matter physics. Here the authors study the vibrational quantum effects in liquid water and show the sensitivity on the coherent
Externí odkaz:
https://doaj.org/article/1c04197c52824194899d4995feda4da9
Autor:
Rafael C. Couto, Vinícius V. Cruz, Emelie Ertan, Sebastian Eckert, Mattis Fondell, Marcus Dantz, Brian Kennedy, Thorsten Schmitt, Annette Pietzsch, Freddy F. Guimarães, Hans Ågren, Faris Gel’mukhanov, Michael Odelius, Victor Kimberg, Alexander Föhlisch
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-7 (2017)
Investigating dynamics of polyatomic molecules is difficult as their potential energy surfaces are multidimensional due to coupled degrees of freedom. Here the authors demonstrate a spatial selective gating technique to probe the different vibrationa
Externí odkaz:
https://doaj.org/article/d1f28289d8e740ada1fc39022282e41f
Autor:
Rebecka Lindblad, Ludvig Kjellsson, Emiliano De Santis, Vicente Zamudio-Bayer, Bernd von Issendorff, Stacey L. Sorensen, J. Tobias Lau, Weijie Hua, Vincenzo Carravetta, Jan-Erik Rubensson, Hans Ågren, Rafael C. Couto
Experimental near edge x ray absorption fine structure NEXAFS spectra of the nitrosonium NO ion are presented and theoretically analyzed. While neutral NO has an open shell, the cation is a closed shell species, which for NEXAFS leads to the simplici
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cca15462c6fec6f3301664863b30f3bd
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-488287
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-488287
Autor:
Rafael C, Couto, Weijie, Hua, Rebecka, Lindblad, Ludvig, Kjellsson, Stacey L, Sorensen, Markus, Kubin, Christine, Bülow, Martin, Timm, Vicente, Zamudio-Bayer, Bernd, von Issendorff, Johan, Söderström, J Tobias, Lau, Jan-Erik, Rubensson, Hans, Ågren, Vincenzo, Carravetta
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(32)
As an example of symmetry breaking in NEXAFS spectra of protonated species we present a high resolution NEXAFS spectrum of protonated dinitrogen, the diazynium ion N
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::04d3defa3b124719d935536f53056c9c
https://pubmed.ncbi.nlm.nih.gov/34346432
https://pubmed.ncbi.nlm.nih.gov/34346432
Autor:
Weijie Hua, Vincenzo Carravetta, Rebecka Lindblad, Hans Ågren, Christine Bülow, V. Zamudio-Bayer, Jan-Erik Rubensson, Rafael C. Couto, Martin Timm, Bernd von Issendorff, Markus Kubin, Stacey L. Sorensen, J. Tobias Lau, Ludvig Kjellsson, Johan Söderström
As an example of symmetry breaking in NEXAFS spectra of protonated species we present a high resolution NEXAFS spectrum of protonated dinitrogen, the diazynium ion N2H . By ab initio calculations we show that the spectrum consists of a superposition
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4862a527acbd41c6b1dc7253ebd34539
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-469119
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-469119
Autor:
Rebecka Lindblad, Ludvig Kjellsson, Marcus Lundberg, S. L. Sorensen, V. Zamudio-Bayer, Hans Ågren, B. von Issendorff, J. T. Lau, Rafael C. Couto, Martin Timm, C. Bulow, Jan-Erik Rubensson, Vincenzo Carravetta
Publikováno v:
Physical Review Letters. 124
The x-ray absorption spectrum of ${\mathrm{N}}_{2}^{+}$ in the K-edge region has been measured by irradiation of ions stored in a cryogenic radio frequency ion trap with synchrotron radiation. We interpret the experimental results with the help of re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ada222fc55a6c63e4482f3b3b55cb0c
https://doi.org/10.1103/physrevlett.124.203001
https://doi.org/10.1103/physrevlett.124.203001
Publikováno v:
Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2019, 40 (19), pp.1789-1799. ⟨10.1002/jcc.25832⟩
Journal of Computational Chemistry, Wiley, 2019, 40 (19), pp.1789-1799. ⟨10.1002/jcc.25832⟩
International audience; Electronically excited states play important roles in many chemical reactions and spectroscopic techniques. In quantum chemistry, a common technique to solve excited states is the multiroot Davidson algorithm, but it is not de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1f8f06710bb725d95168d51472f84372
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-387717
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-387717
Autor:
Rafael C. Couto, Rahul V. Pinjari, Roland Lindh, Kristine Pierloot, Lasse Kragh Sørensen, Meiyuan Guo, Erik Källman, Marcus Lundberg
The capability of the multiconfigurational restricted active space approach to identify electronic structure from spectral fingerprints is explored by applying it to iron L-edge X-ray absorption spectroscopy (XAS) of three heme systems that represent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9cd5dd34bdea54b6780125a8e0a9538
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-375846
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-375846
Autor:
Raphael M. Jay, Victor Kimberg, Annette Pietzsch, Michael Odelius, Alexander Föhlisch, Sebastian Eckert, Thorsten Schmitt, Hans Ågren, Daniil A Fedotov, Dirk R. Rehn, Sergey Polyutov, Viktoriia Savchenko, Faris Gel'mukhanov, Mattis Fondell, Johannes Niskanen, Vinícius Vaz da Cruz, Rafael C. Couto, Nina Ignatova, Patrick Norman
Publikováno v:
The Journal of Chemical Physics
We report on a combined theoretical and experimental study of core excitation spectra of gas and liquid phase methanol as obtained with the use of X ray absorption spectroscopy XAS and resonant inelastic X ray scattering RIXS . The electronic transit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d46014ce93170842e820bac80526bb29
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-390678
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-390678