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: 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; 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 [...]
Authors: Torres-Miyares, E. E.; Ward, D. J.; Rojas-Lorenzo, G.; Rubayo-Soneira, J.; Allison, W.; Miret-Artes, S. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/02/22 DOI: 10.1039/d2cp05511b Abstract: The stochastic wave function method is proposed to study the diffusion regimes of alkali atoms on metallic surfaces. The Lindblad approach, based on the microscopic Hamiltonian information in the [...]
Authors: Silva, Murilo O.; Moreira, Giseli M.; Rosado, Jaime; Blanco, Francisco; Garcia, Gustavo; Bettega, Marcio H. F.; da Costa, Romarly F. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/11/21 DOI: 10.1039/d3cp04619b Abstract: We report on elastic and electronically inelastic integral and differential cross sections as well as ionization and total cross sections for electron collisions [...]