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H2020-MSCA-RISE-2019-872081 |
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ATMOS
in SOCIAL NETWORKS |
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ATMOS Networking
Activities |
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BOOK OF ABSTRACTS (ATMOS NETWORKING ACTIVITIES) |
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ATMOS 2020-2021 |
From the 16-04-2020 to the 01-12-2021, ATMOS was temporarily
suspended due to the COVID-19 pandemia. However, during this period,
the participants have achieved many scientific activities that are summarized
in this page. |
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The “OPEN DOORS” SESSION (ATMOS NETWORKING ACTIVITY) Chaired by: N. Komiha
(chair of the school); M.L. Senent (Coordinator of ATMOS)
“The open day of awareness on air pollution and
climate change is part of the International Winter School on Atmospheric
Chemistry, Greenhouse Gases and Pollutants, and on the theoretical and
computational, spectroscopic and photochemical methods used for this purpose,
organized by the Faculty of Sciences of Rabat from February 21 to 26. This
event is part of a European H2020 project coordinated by the CSIC (Spain) and
whose acronym is ATMOS. Release: L’Opinion de Rabat: https://www.lopinion.ma/FSR-Une-journee-portes-ouvertes-de-sensibilisation-sur-les-changements-climatiques_a24467.html. |
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Publication |
Partners |
Year |
WP |
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2022 |
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Theoretical
spectroscopic study of acetyl (CH3CO), vinoxy (CH2COH),
and 1-methylvinoxy (CH3COCH2)
radicals. Barrierless formation processes of acetone in the gas phase,
H. El Hadki,
V. Gámez, S. Dalbouha, K. Marakchi, O.K. Kabbaj,
N. Komiha, M. Carvajal,
and M.L. Senent. Open Research Europe, 1 :116 23 pp (2022); https://doi.org/10.12688/openreseurope.14073.1 |
CSIC,
UHU, UMV |
WP1,WP2 |
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Theoretical Spectroscopic
Study of Two Ketones of Atmospheric Interest: Methyl Glyoxal (CH3COCHO) and Methyl Vinyl Ketone (CH3COCH=
CH2), I. Toumia, S. Dalbouha, M. Mogren Al-Mogren, O. Yazidia, N. Jaïdane, M. Carvajal,
and M.L. Senent, J.Phys.Chem.A. 126 (40) 7230-7241 (2022); https://doi.org/10.1021/acs.jpca.2c05653 |
CSIC,
UHU, UMV |
WP1 |
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An ab initio study of the photodissociation of
the vinyl radical, A. Bouallagui, A. García-Vela et al., PCCP,
2022, 24, 7387; DOI: 10.1039/d2cp00180b |
CSIC |
WP2 |
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Algebraic
vibrational description of the symmetric isotopologues of CO2: 13C16O2 , 12C18O2 ,12C17O2,
M. Bermúdez-Montaña, M. Rodríguez-Arcos, M. Carvajal, C. Ostertag-Henning,
and R. Lemus, Chemical Physics, 557
(2022) 111481 (15 pp.). http://hdl.handle.net/10272/20849 |
UHU |
WP1 |
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Quantum fidelity
susceptibility in excited state quantum phase transitions: Application to the
bending spectra of nonrigid molecules, J. Khalouf-Rivera, M. Carvajal,
and F. Pérez-Bernal, SciPost Physics, 12 (2022) 002 (28 pp.). Https://doi.org/10.21468/SciPostPhys.12.1.002; https ://doi.org/10.48550/arXiv.2102.12335 |
UHU |
WP1 |
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Anharmonicity-induced excited-state
quantum phase transition in the symmetric phase of the two-dimensional limit
of the vibron model, J. Khalouf-Rivera,
F. Pérez-Bernal, and M. Carvajal, Physical Review A, 105 (2022) 032215
(13 pp.). https://doi.org/10.1103/PhysRevA.105.032215 |
UHU |
WP1 |
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Millimeter-Wave Spectroscopy of methylfuran Isomers: Local vs. Global Treatments of the
Internal Rotation, I. Kleiner, A. Cuisset et al. Molecules-MDPI, 2022, 27, 3591. https://doi.org/ 10.3390/molecules27113591 |
CNRS, ULCO |
WP |
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ATMOS in 2020-2021 (suspension period) |
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Large amplitude motions of
pyruvic acid (CH3-CO-COOH), M.L. Senent and S. Dalbouha
Molecules, "Terahertz Spectroscopy and Dynamics of
Low-Frequency Modes Involving Large Amplitude Molecular Motions”, Molecules, MDPI, 26, 4269-4282 (2021) https://doi.org/10.3390/molecules26144269 |
CSIC,
UMV |
WP1 |
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Rotational and
Torsional Properties of Various Monosubstituted Isotopologues of Acetone (CH3-CO-CH3)
from Explicitly Correlated Ab Initio Methods, S. Dalbouha, M. Mogren
Al-Mogren, and
M.L. Senent, ACS Earth & Space
Chemistry, 5, 890–899 (2021) https://dx.doi.org/10.1021/acsearthspacechem.1c00010 |
CSIC,
UMV |
WP1 |
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The formation of C3O3H6
structural isomers in the gas phase through barrierless pathways. Formation
and spectroscopic characterization of methoxy acetic acid, V. Gámez and M.L.Senent, Astrophys.J, 913, 21-37 (2021) |
CSIC |
WP1,WP2 |
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Excited state
quantum phase transitions in the bending spectra of molecules, J. Khalouf-Rivera, F. Pérez-Bernal, and M. Carvajal, Journal of Quantitative Spectroscopy and Radiative Transfer, 261 (2021) 107436.
https://doi.org/10.1016/j.jqsrt.2020.107436 |
UHU |
WP1 |
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Advances
in Spectroscopic Monitoring of the Atmosphere by W.Chen
et al., https://doi.org/10.1016/C2017-0-02805-7 |
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BOOK OF ABSTRACTS (ATMOS NETWORKING ACTIVITIES) |
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ATMOS WINTER SCHOOL ATMOS2022 (Book of ABSTRACTS) |
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MTM-Meeting ATMOS 2023 (Book of ABSTRACTS) |
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CONFERENCES |
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Contribution |
Partners |
Year |
WP |
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XVI International Workshop on Quantum Reactive Scattering (QRS 2022), Balatonfoldvár (Hungría) September
4-9, 2022. “Influence of Conical Intersections in the Photodissociation
Mechanisms of Alkyl Radicals. A. García Vela
(invited talk) |
CSIC |
2022 |
WP2 |
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XVI Iberian Joint Meeting on Atomic and Molecular Physics, IBER 2022, September
21-23 2022. “The Role of Nonadiabatic Couplings in
the Photodissociation of the Methyl Radical”. A.García Vela (invited talk). |
CSIC |
2022 |
WP2 |
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The 26th International Conference on High Resolution Molecular
Spectroscopy, Prague (Czech Republic), August 29 – September 2, 2022. “Study of the vibrational structure of
symmetric and asymmetric isotopologues of CO2”. M. Carvajal (poster) |
UHU |
2022 |
WP1 |
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ATMOS in 2020-2021 (suspension period) |
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International Symposium on Molecular Spectroscopy
71st Meeting (on-line)- June 21-25, 2021 - Champaign-Urbana, Illinois. “Ab
initio calculation applied to the study of organic non-rigid molecules with
(at least) three interacting torsional modes”. M.L. Senent (invited talk) |
CSIC |
2021 |
WP1 |
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International Symposium on
Molecular Spectroscopy 71st Meeting (on-line)- June 21-25, 2021 -
Champaign-Urbana, Illinois. Mini-simposium « Large Amplitude Motions ». Organizer: I. Kleiner et al. (CNRS) |
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DISSEMINATION AND COMMUNICATION ACTIVITIES |
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Date |
Activity |
Organized by: |
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2022 |
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From 2022: ATMOS is announced in several Social
Networks. Dissemination activities are announced in these networks Twiter: https://twitter.com/ATMOS_H2020 Instagram: https://www.instagram.com/atmos_2020 |
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2020 |
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13/02 |
L’équipe de chimie théorique et Modélisation partenaire
du projet organise une rencontre pour présenter le Projet Européen H2020:
ATMOS La présentation
du projet : par Maria Luisa Senent Coordinatrice du projet |
UMV |
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PRESS RELEASES AND PUBLIC ANNOUNCEMENTS From 2022: ATMOS is announced in several Social
Networks. See releases and public announcements
in these networks Twiter: https://twitter.com/ATMOS_H2020 Instagram: https://www.instagram.com/atmos_2020 |
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Date |
Links |
Organized by: |
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ATMOS in
2020-2021 (suspension period) |
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21-May-2020 |
https://www.presse.uni-wuppertal.de/de/medieninformationen/2020/05/06/31939-wuppertaler-chemikerinnen-am-eu-netzwerk-atmos-beteiligt/ |
BUW |
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19-May-2020 |
UHU |
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29-April-2020 |
ULCO |
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