Authors: Charfeddine, F.; Zanchet, A.; Yazidi, O.; Cuevas, C. A.; Saiz-Lopez, A.; Banares, L.; Garcia-Vela, A. Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2024/02/21 DOI: 10.1063/5.0187546 Abstract: Bromine atom (Br) reactions lead to ozone depletion in the troposphere and stratosphere. Photodegradation of bromocarbons is one of the main sources of bromine atoms in the atmosphere. [...]
Authors: Arcos, Carlos G.; Garcia-Vela, Alberto; Sola, Ignacio R. Journal: JOURNAL OF PHYSICAL CHEMISTRY LETTERS Publication date: 2024/01/31 DOI: 10.1021/acs.jpclett.3c03430 Abstract: By coherent control, the yield of photodissociation reactions can be maximized, starting in a suitable superposition of vibrational states. In ultrafast processes, the interfering pathways are born from the early vibrational coherences in the [...]
Authors: Montes de Oca-Estevez, Maria Judit; Valdes, Alvaro; Prosmiti, Rita Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2024/02/22 DOI: 10.1039/d3cp05865d Abstract: One of the most fascinating discoveries in recent years, in the cold and low pressure regions of the universe, was the detection of ArH+ and HeH+ species. The identification of such noble gas-containing molecules [...]
Authors: Gonzalez, Daniel; Canosa, Andre; Martinez-Nunez, Emilio; Fernandez-Ramos, Antonio; Ballesteros, Bernabe; Agundez, Marcelino; Cernicharo, Jose; Jimenez, Elena Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2024/01/24 DOI: 10.1039/d3cp04944b Abstract: Acetonitrile (CH3CN) is present in the interstellar medium (ISM) in a variety of environments. However, at the ultracold temperatures of the ISM, radical-molecule reactions are not widely [...]
Authors: Lozano, Ana I.; Rosado, Jaime; Blanco, Francisco; Limao-Vieira, Paulo; Garcia, Gustavo Journal: JOURNAL OF PHYSICAL CHEMISTRY A Publication date: 2024/01/16 DOI: 10.1021/acs.jpca.3c07708 Abstract: Accurate total cross sections (TCS), within 5%, for electron scattering by N2O molecules have been measured with a magnetically confined electron transmission apparatus for impact energies ranging from 1 to 200 [...]
Authors: Veselinova, A.; Menendez, M.; Gonzalez-Sanchez, L.; Zanchet, A.; Aoiz, F. J.; Jambrina, P. G. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2024/02/22 DOI: 10.1039/d3cp05510h Abstract: The O(P-3) + D-2 -> OD((2)Pi) + D reaction presents the peculiarity of taking place on two different potential energy surfaces (PESs) of different symmetry, (3)A ' and (3)A [...]
Authors: Gonzalez, Daniel; Canosa, Andre; Martinez-Nunez, Emilio; Fernandez-Ramos, Antonio; Ballesteros, Bernabe; Agundez, Marcelino; Cernicharo, Jose; Jimenez, Elena Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2024/01/13 DOI: 10.1039/d3cp04944b Abstract: Acetonitrile (CH3CN) is present in the interstellar medium (ISM) in a variety of environments. However, at the ultracold temperatures of the ISM, radical-molecule reactions are not widely [...]
Authors: Yanes-Rodriguez, Raquel; Prosmiti, Rita Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2024/01/17 DOI: 10.1039/d3cp05410a Abstract: Clathrate hydrates have the ability to encapsulate atoms and molecules within their cavities, and thus they could be potentially large storage capacity materials. The present work studies the multiple cage occupancy effects in the recently discovered He@sII crystal. On [...]
Authors: Yanes-Rodriguez, Raquel; Rodriguez-Segundo, Raul; Villarreal, Pablo; Prosmiti, Rita Journal: EUROPEAN PHYSICAL JOURNAL D Publication date: 2023/06/01 DOI: 10.1140/epjd/s10053-023-00691-9 Abstract: The structures and energetics of Li-2(+) -doped He clusters have been determined by means of evolutionary programming optimizations and classical molecular dynamics simulations. The underlying interactions in the HeNLi+ 2 complexes are described by sum-of-potentials [...]
Authors: Yanes-Rodriguez, Raquel; Prosmiti, Rita Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/06/28 DOI: 10.1039/d3cp00603d Abstract: One of the several possibilities offered by the interesting clathrate hydrates is the opportunity to encapsulate several atoms or molecules, in such a way that more efficient storage materials could be explored or new molecules that otherwise do not [...]