Authors: Torres-Miyares, E. E.; Rojas-Lorenzo, G.; Rubayo-Soneira, J.; Miret-Artes, S. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2022/07/06 DOI: 10.1039/d2cp01579j Abstract: Surface diffusion is described in terms of the intermediate scattering function in the time domain and reciprocal space. Two extreme time regimes are analyzed, ballistic (very short times) and Brownian or diffusive (very long [...]

Authors: Garcia-Arroyo, Esther; Campos-Martinez, Jose; Bartolomei, Massimiliano; Pirani, Fernando; Hernandez, Marta I. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2022/07/06 DOI: 10.1039/d2cp01044e Abstract: Graphdiyne (GDY) has emerged as a very promising two-dimensional (2D) membrane for gas separation technologies. One of the most challenging goals is the separation of deuterium (D-2) and tritium (T-2) from a [...]

Authors: Manson, J. R.; Miret-Artes, S. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2022/07/21 DOI: 10.1039/d2cp01144a Abstract: Many experiments that utilize beams of incident atoms colliding with surfaces as a probe of surface properties are carried out at large energies, high temperatures and with large mass atoms. Under these conditions the scattering process does not [...]

Authors: Lozano, Ana, I; Garcia-Abenza, Adrian; Blanco Ramos, Francisco; Hasan, Mahmudul; Slaughter, Daniel S.; Weber, Thorsten; McEachran, Robert P.; White, Ronald D.; Brunger, Michael J.; Limao-Vieira, Paulo; Gomez-Tejedor, Gustavo Garcia Journal: JOURNAL OF PHYSICAL CHEMISTRY A Publication date: 2022/09/01 DOI: 10.1021/acs.jpca.2c05005 Abstract: In this Review, we present a comparative study between electron and positron scattering [...]

Authors: Benedek, G.; Manson, J. R.; Miret-Artes, Salvador Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2022/10/05 DOI: 10.1039/d2cp03501d Abstract: In previous works it has been shown that the Debye-Waller (DW) exponent for Helium atom specular reflection from a conducting surface, when measured as a function of temperature in the linear high-temperature regime, allows for the [...]

Authors: Cabezas, Carlos; Chang, Ching-Hua; Guillemin, Jean-Claude; Endo, Yasuki Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2022/10/27 DOI: 10.1039/d2cp03578b Abstract: Fourier transform microwave spectra for two isomers of the chlorine substituted vinyl radical have been observed in the 4-52 GHz frequency region. The observed radicals ((2)A ') have been generated using electric discharges of diluted [...]

Authors: Recio, Pedro; Cachon, Javier; Rubio-Lago, Luis; Chicharro, David, V; Zanchet, Alexandre; Limao-Vieira, Paulo; de Oliveira, Nelson; Samartzis, Peter C.; Marggi Poullain, Sonia; Banares, Luis Journal: JOURNAL OF PHYSICAL CHEMISTRY A Publication date: 2022/11/17 DOI: 10.1021/acs.jpca.2c058978404 Abstract: The photodissociation dynamics and photofragment alignment of bromoiodomethane (CH2BrI) have been studied at 193 nm using a double [...]

Authors: Kollotzek, Siegfried; Campos-Martinez, Jose; Bartolomei, Massimiliano; Pirani, Fernando; Tiefenthaler, Lukas; Hernandez, Marta, I; Lazaro, Teresa; Zunzunegui-Bru, Eva; Gonzalez-Lezana, Tomas; Breton, Jose; Hernandez-Rojas, Javier; Echt, Olof; Scheier, Paul Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2022/12/21 DOI: 10.1039/d2cp03841b Abstract: We report a novel method to reversibly attach and detach hydrogen molecules to positively charged sodium [...]

Authors: Gomez-Carrasco, Susana; Felix-Gonzalez, Daniel; Aguado, Alfredo; Roncero, Octavio Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2022/08/28 DOI: 10.1063/5.0102376 Abstract: The cross section and rate constants for the title reaction are calculated for all the spin-orbit states of N+(P-3 (JA))using two statistical approaches, one purely adiabatic and the other one mixing quantum capture for the [...]

Authors: Gonzalez-Lezana, Tomas; Hily-Blant, Pierre; Faure, Alexandre Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2022/12/07 DOI: 10.1063/5.0128598 Abstract: The H+ + HD(v, j) reaction has been investigated in detail by means of a statistical quantum method. State-to-state cross sections and rate constants for transitions between reactants and rovibrational states HD(v', j') of the product arrangement [...]