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

Rezultaty

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.

Publikacje

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

Autorzy: Victoria Gámez; María Luisa Senent
Opublikowane w: Astrophysical journal, Numer 1, 2021, ISSN 0004-637X
Wydawca: University of Chicago Press
DOI: 10.3847/1538-4357/abecdf

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

Autorzy: Dalbouha, S; Senent. ML
Opublikowane w: Molecules, Vol 26, Iss 4269, Numer 1, 2021, ISSN 1420-3049
Wydawca: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26144269

A Spectroscopic Description of Asymmetric Isotopologues of CO2

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

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

Autorzy: A. Bouallagui; A. Zanchet; L. Bañares; A. García-Vela
Opublikowane w: Physical Chemistry Chemical Physics, Numer 6, 2023, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d3cp01460f

Photodissociation of the CH2Br radical: A theoretical study

Autorzy: F. Charfeddine, A. Zanchet, O. Yazidi, C. A. Cuevas, A. Saiz-Lopez, L. Bañares, A. García-Vela
Opublikowane w: Journal of Chemical Physics, Numer 1, 2024, Strona(/y) 074301, ISSN 0021-9606
Wydawca: 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

Autorzy: Cristopher Heyser Valencia, Natalia Inostroza-Pino
Opublikowane w: Astronomy and astrophysics, Numer 6, 2022, ISSN 0004-6361
Wydawca: Springer Verlag
DOI: 10.1051/0004-6361/202243520

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

Autorzy: Mohammed Salah, Khadija Marakchi, Najia Komiha, Maria Luisa Senent
Opublikowane w: Astrophysical Journal, 2024, ISSN 1538-4357
Wydawca: American Astronomical Society
DOI: 10.3847/1538-4357/ad1fef

Excited state quantum phase transitions in the bending spectra of molecules

Autorzy: Jamil Khalouf-Rivera; Francisco Pérez-Bernal; Francisco Pérez-Bernal; Miguel Carvajal; Miguel Carvajal
Opublikowane w: Journal of Quantitative Spectroscopy and Radiative Transfer 261,107436, Numer 00224073, 2021, ISSN 0022-4073
Wydawca: 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

Autorzy: Edgar Mendoza; Miguel Carvajal; Manuel Merello; Leonardo Bronfman; Heloisa M. Boechat-Roberty
Opublikowane w: Crossref, Numer 7, 2023, ISSN 1538-4357
Wydawca: American Astronomical Society
DOI: 10.3847/1538-4357/ace048

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

Autorzy: Senent, María Luisa; Dalbouha, Samira
Opublikowane w: Molecules, Vol 26, Iss 4269, p 4269 (2021), Numer 1, 2021, ISSN 1420-3049
Wydawca: 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

Autorzy: S. Dalbouha; Muneerah Mogren Al-Mogren; María Luisa Senent
Opublikowane w: ACS Earth and Space Chemistry, Numer 2, 2021, ISSN 2472-3452
Wydawca: 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

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

An ab initio study of the photodissociation of the vinyl radical

Autorzy: A. Bouallagui; A. Zanchet; L. Bañares; A. García-Vela
Opublikowane w: Crossref, Numer 14639076, 2022, Strona(/y) 7387-7395, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d2cp00180b

Symmetries of the squeeze-driven Kerr oscillator

Autorzy: Francesco Iachello; Rodrigo G Cortiñas; Francisco Pérez-Bernal; Lea F Santos
Opublikowane w: Crossref, Numer 12, 2023, ISSN 1751-8113
Wydawca: 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

Autorzy: Cristopher Heyser Valencia; Natalia Inostroza-Pino
Opublikowane w: Astronomy and Astrophysics, Numer 6, 2022, Strona(/y) A85, ISSN 0004-6361
Wydawca: 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

Autorzy: Jamil Khalouf-Rivera; Francisco Pérez-Bernal; Miguel Carvajal
Opublikowane w: Physical Review A 105, 032215, Numer 24699926, 2022, Strona(/y) 032215, ISSN 2469-9926
Wydawca: American Physical Society
DOI: 10.48550/arxiv.2106.11044

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

Autorzy: J. Bruckhuisen, S. Chawananon, I.Kleiner, A. Roucou, G. Dhont, C. Bracquart, P. Asselin, A.Cuisset
Opublikowane w: Molecules MDPI, Numer 1, 2022, ISSN 1420-3049
Wydawca: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27113591

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

Autorzy: M. Bermúdez-Montaña, M. Rodríguez-Arcos, M. Carvajal, C. Ostertag-Henning, R. Lemus
Opublikowane w: Chemical Physics 557, 111481, Numer 03010104, 2022, ISSN 0301-0104
Wydawca: 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

Autorzy: Jamil Khalouf-Rivera; Miguel Carvajal; Francisco Perez-Bernal
Opublikowane w: SciPost Physics, Vol 12, Iss 1, p 002 (2022), Numer 25424653, 2022, ISSN 2542-4653
Wydawca: 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)

Autorzy: ), I. Toumia, S. Dalbouha, M. Mogren Al-Mogren, O. Yazidia, N. Jaïdane, M. Carvajal, and M.L. Senent
Opublikowane w: Journal of Physical Chemistry A, Numer 10895639, 2022, Strona(/y) 7230-7240, ISSN 1089-5639
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpca.2c05653

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

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

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

Autorzy: Celia Adjal; Vicente Timón; Nabila Guechtouli; Rahma Boussassi; Dalila Hammoutène; María Luisa Senent
Opublikowane w: Journal of physical chemistry A, Numer 4, 2023, Strona(/y) 8146−8158, ISSN 1089-5639
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpca.3c03877

Utilisation of CO2 as “Structure Modifier” of Inorganic Solids

Autorzy: M. J. Bennett,I. Dobson, D. M. Benoit, M. G. Francesconi
Opublikowane w: Chemistry A European Journal, 2021, ISSN 0947-6539
Wydawca: 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

Autorzy: H. El Hadki, V. Gámez, S. Dalbouha, K. Marakchi, O.K. Kabbaj, N. Komiha, M. Carvajal, and M.L. Senent.
Opublikowane w: Open Research Europe, 2022
Wydawca: 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

Rezultaty

Publikacje

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