Pollutants and greenhouse gases in the atmosphere - understanding gas-gas and gas-solid interactions towards a cleaner atmosphere | ATMOS | Project | Results | H2020 | CORDIS

Resultado final

Kinetic studies of RO2 radicals with NOx, OH, HO2, and NO3 will be performed a flow tube reactor (with on-line spectroscopy instruments for real time measurement of free radicals, and high resolution mass spectroscopy/synchrotron radiation photoionization mass spectrometry for the monitoring of the reaction products and precursors).

Publication of spectroscopic-SETS

Publication of spectroscopic-SETS (in journal and/or conferences and/or databases)Publication of the excited electronic states of radicals-SET1Publication of the potential energy surfaces and couplings associated with the electronic states relevant for the processes and dynamical description of some of the photodissociation processes leading to intermediate pollutants. Identification of the relevant photodissociation mechanisms-SET 1

Collisional parameters

Collisional parameters of the CO2+CO2 system and prelimminary results corresponding to the N2+O2 system

Report of the Networking and dissemination activities

Reports of the networking activities will be publihed in the web page. They will contain research work summaries, the index of activities and pictures (sessions and activities)

Report of the winter school

After finishing the ATMOS winter school, the leader of the Winter School (N.Komija), the leader of WP6 and the coordinator will write a report. It will be published in the consortium web page.

Publicaciones

The Formation of C 3 O 3 H 6 Structural Isomers in the Gas Phase through Barrierless Pathways: Formation and Spectroscopic Characterization of Methoxy Acetic Acid

Autores: Victoria Gámez; María Luisa Senent
Publicado en: Astrophysical journal, Edición 1, 2021, ISSN 0004-637X
Editor: University of Chicago Press
DOI: 10.3847/1538-4357/abecdf

Large Amplitude Motions of Pyruvic Acid (CH3-CO-COOH)

Autores: Dalbouha, S; Senent. ML
Publicado en: Molecules, Vol 26, Iss 4269, Edición 1, 2021, ISSN 1420-3049
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26144269

A Spectroscopic Description of Asymmetric Isotopologues of CO2

Autores: Marisol Bermúdez-Montaña, Marisol Rodríguez Arcos,Miguel Carvajal, Christian Ostertag-Henning, Renato Lemus
Publicado en: Journal of Physical Chemistry A, 2023, ISSN 1089-5639
Editor: American Chemical Society
DOI: 10.1021/acs.jpca.3c00890

An ab initio study of the photodissociation of CH2I and CH2I+

Autores: A. Bouallagui; A. Zanchet; L. Bañares; A. García-Vela
Publicado en: Physical Chemistry Chemical Physics, Edición 6, 2023, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d3cp01460f

Photodissociation of the CH2Br radical: A theoretical study

Autores: F. Charfeddine, A. Zanchet, O. Yazidi, C. A. Cuevas, A. Saiz-Lopez, L. Bañares, A. García-Vela
Publicado en: Journal of Chemical Physics, Edición 1, 2024, Página(s) 074301, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0187546

Methanediol CH2(OH)2 and hydroxymethyl CH2OH+: key organicintermediates on the path to complex organic molecules

Autores: Cristopher Heyser Valencia, Natalia Inostroza-Pino
Publicado en: Astronomy and astrophysics, Edición 6, 2022, ISSN 0004-6361
Editor: Springer Verlag
DOI: 10.1051/0004-6361/202243520

Theoretical Spectroscopic Study of Isopropyl Alcohol (CH3-CHOH-CH3)

Autores: Mohammed Salah, Khadija Marakchi, Najia Komiha, Maria Luisa Senent
Publicado en: Astrophysical Journal, 2024, ISSN 1538-4357
Editor: American Astronomical Society
DOI: 10.3847/1538-4357/ad1fef

Excited state quantum phase transitions in the bending spectra of molecules

Autores: Jamil Khalouf-Rivera; Francisco Pérez-Bernal; Francisco Pérez-Bernal; Miguel Carvajal; Miguel Carvajal
Publicado en: Journal of Quantitative Spectroscopy and Radiative Transfer 261,107436, Edición 00224073, 2021, ISSN 0022-4073
Editor: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2020.107436

Observations and Chemical Modeling of the Isotopologues of Formaldehyde and the Cations of Formyl and Protonated Formaldehyde in the Hot Molecular Core G331.512–0.103

Autores: Edgar Mendoza; Miguel Carvajal; Manuel Merello; Leonardo Bronfman; Heloisa M. Boechat-Roberty
Publicado en: Crossref, Edición 7, 2023, ISSN 1538-4357
Editor: American Astronomical Society
DOI: 10.3847/1538-4357/ace048

Large Amplitude Motions of Pyruvic Acid (CH3-CO-COOH)

Autores: Senent, María Luisa; Dalbouha, Samira
Publicado en: Molecules, Vol 26, Iss 4269, p 4269 (2021), Edición 1, 2021, ISSN 1420-3049
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26144269

Rotational and Torsional Properties of Various Monosubstituted Isotopologues of Acetone (CH3–CO–CH3) from Explicitly Correlated Ab Initio Methods

Autores: S. Dalbouha; Muneerah Mogren Al-Mogren; María Luisa Senent
Publicado en: ACS Earth and Space Chemistry, Edición 2, 2021, ISSN 2472-3452
Editor: American Chemical Society
DOI: 10.1021/acsearthspacechem.1c00010

Rovibrational Spectroscopy of Trans and Cis Conformers of 2-Furfural from High-Resolution Fourier Transform and QCL Infrared Measurements

Autores: Sathapana Chawananon; Pierre Asselin; Jordan A. Claus; Manuel Goubet; Anthony Roucou; Robert Georges; Joanna Sobczuk; Colwyn Bracquart; Olivier Pirali; Arnaud Cuisset
Publicado en: Molecules; Volume 28; Edición 10; Pages: 4165, Edición 16, 2023, ISSN 1420-3049
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules28104165

An ab initio study of the photodissociation of the vinyl radical

Autores: A. Bouallagui; A. Zanchet; L. Bañares; A. García-Vela
Publicado en: Crossref, Edición 14639076, 2022, Página(s) 7387-7395, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d2cp00180b

Symmetries of the squeeze-driven Kerr oscillator

Autores: Francesco Iachello; Rodrigo G Cortiñas; Francisco Pérez-Bernal; Lea F Santos
Publicado en: Crossref, Edición 12, 2023, ISSN 1751-8113
Editor: Institute of Physics Publishing
DOI: 10.1088/1751-8121/ad09eb

Methanediol CH2(OH)2 and hydroxymethyl CH2OH+: key organic intermediates on the path to complex organic molecules

Autores: Cristopher Heyser Valencia; Natalia Inostroza-Pino
Publicado en: Astronomy and Astrophysics, Edición 6, 2022, Página(s) A85, ISSN 0004-6361
Editor: Springer Verlag
DOI: 10.1051/0004-6361/202243520

Anharmonicity-induced excited-state quantum phase transition in the symmetric phase of the two-dimensional limit of the vibron model

Autores: Jamil Khalouf-Rivera; Francisco Pérez-Bernal; Miguel Carvajal
Publicado en: Physical Review A 105, 032215, Edición 24699926, 2022, Página(s) 032215, ISSN 2469-9926
Editor: American Physical Society
DOI: 10.48550/arxiv.2106.11044

Millimeter-Wave Spectroscopy of Methylfuran Isomers: Localvs. Global Treatments of the Internal Rotation

Autores: J. Bruckhuisen, S. Chawananon, I.Kleiner, A. Roucou, G. Dhont, C. Bracquart, P. Asselin, A.Cuisset
Publicado en: Molecules MDPI, Edición 1, 2022, ISSN 1420-3049
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27113591

Algebraic vibrational description of the symmetric isotopologues of CO2: 13C16O2, 12C18O2 and 12C17O2

Autores: M. Bermúdez-Montaña, M. Rodríguez-Arcos, M. Carvajal, C. Ostertag-Henning, R. Lemus
Publicado en: Chemical Physics 557, 111481, Edición 03010104, 2022, ISSN 0301-0104
Editor: Elsevier BV
DOI: 10.1016/j.chemphys.2022.111481

Quantum fidelity susceptibility in excited state quantum phase transitions: application to the bending spectra of nonrigid molecules

Autores: Jamil Khalouf-Rivera; Miguel Carvajal; Francisco Perez-Bernal
Publicado en: SciPost Physics, Vol 12, Iss 1, p 002 (2022), Edición 25424653, 2022, ISSN 2542-4653
Editor: SciPost Foundation
DOI: 10.48550/arxiv.2102.12335

Theoretical Spectroscopic Study of Two Ketones of Atmospheric Interest: Methyl Glyoxal (CH3COCHO) and Methyl Vinyl Ketone (CH3COCH= CH2)

Autores: ), I. Toumia, S. Dalbouha, M. Mogren Al-Mogren, O. Yazidia, N. Jaïdane, M. Carvajal, and M.L. Senent
Publicado en: Journal of Physical Chemistry A, Edición 10895639, 2022, Página(s) 7230-7240, ISSN 1089-5639
Editor: American Chemical Society
DOI: 10.1021/acs.jpca.2c05653

A High-level Ab Initio Study of the Destruction of Methanimine under UV Radiation

Autores: A. Bouallagui; A. Zanchet; M. Mogren Al Mogren; L. Bañares; A. García-Vela
Publicado en: reponame:Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia, Edición 1, 2023, ISSN 0004-637X
Editor: University of Chicago Press
DOI: 10.3847/1538-4357/acf311

The Role of Water in the Adsorption of Nitro-Organic Pollutants on Activated Carbon

Autores: Celia Adjal; Vicente Timón; Nabila Guechtouli; Rahma Boussassi; Dalila Hammoutène; María Luisa Senent
Publicado en: Journal of physical chemistry A, Edición 4, 2023, Página(s) 8146−8158, ISSN 1089-5639
Editor: American Chemical Society
DOI: 10.1021/acs.jpca.3c03877

Utilisation of CO2 as “Structure Modifier” of Inorganic Solids

Autores: M. J. Bennett,I. Dobson, D. M. Benoit, M. G. Francesconi
Publicado en: Chemistry A European Journal, 2021, ISSN 0947-6539
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/chem.202103608

Theoretical spectroscopic study of acetyl (CH3CO), vinoxy (CH2COH), and 1-methylvinoxy (CH3COCH2) radicals. Barrierless formation processes of acetone in the gas phase

Autores: H. El Hadki, V. Gámez, S. Dalbouha, K. Marakchi, O.K. Kabbaj, N. Komiha, M. Carvajal, and M.L. Senent.
Publicado en: Open Research Europe, 2022
Editor: European Comission
DOI: 10.12688/openreseurope.14073.1

Pollutants and greenhouse gases in the atmosphere - understanding gas-gas and gas-solid interactions towards a cleaner atmosphere

Resultado final

Publicaciones

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