Molecular & Chemical. Archivos - Instituto De Física Fundamental

The Electron–Phonon Interaction at Vicinal Metal Surfaces Measured with Helium Atom Scattering

The Electron–Phonon Interaction at Vicinal Metal Surfaces Measured with Helium Atom Scattering

Marcelo Castellanos2023-11-30T18:37:13+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Physical; Physics|

Authors: Benedek, Giorgio; Miret-Artés, Salvador; Manson, Joseph R.; Toennies, Jan P. Journal: Nanomaterials Publication date: 2023/11/22 DOI: 10.3390/nano13232997 Abstract: Recently, it was demonstrated that inelastic helium atom scattering from conducting surfaces provides a direct measurement of the surface electron–phonon coupling constant (mass enhancement factor λ) via the temperature or the incident wave vector dependence of [...]

Molecular Oxygen Trimer: Multiplet Structures and Stability Copy

Molecular Oxygen Trimer: Multiplet Structures and Stability Copy

Marcelo Castellanos2023-11-30T18:25:14+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Physical; Physics|

Authors: Castro-Gomez, L. Beatriz; Campos-Martínez, José; Hernández, Marta I.; Hernandez-Lamoneda, Ramon Journal: CHEMPHYSCHEM Publication date: 2023/10/05 DOI: 10.1002/cphc.202300387 Abstract: We present a detailed theoretical study of the molecular oxygen trimer where the potential energy surfaces of the seven multiplet states have been calculated by means of a pair approximation with very accurate dimer ab initio [...]

Detection of a C4 Criegee Intermediate: Fourier-Transform Microwave Spectroscopy of Methacrolein Oxide

Detection of a C4 Criegee Intermediate: Fourier-Transform Microwave Spectroscopy of Methacrolein Oxide

Marcelo Castellanos2023-11-30T18:13:50+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Physical; Physics|

Authors: Endo, Yasuki; Chung, Chen-An; Witek, Henryk A.; Cabezas, Carlos; Lee, Yuan-Pern Journal: JOURNAL OF PHYSICAL CHEMISTRY A Publication date: 2023/10/10 DOI: 10.1021/acs.jpca.3c05553 Abstract: Pure rotational transitions of methacrolein oxide (MACRO) were observed by Fourier-transform microwave spectroscopy. Among the four low-lying conformers existing within an energy window of 3 kcal/mol, only the lowest-energy conformer, the [...]

Isotope Effect in D2O Negative Ion Formation in Electron Transfer Experiments: DO-D Bond Dissociation Energy

Marcelo Castellanos2023-11-30T17:20:00+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Multidisciplinary; Physics, Physical; Nanoscience & Nanotechnology; Materials Science|

Authors: Kumar, Sarvesh; Hoshino, Masamitsu; Kerkeni, Boutheina; Garcia, Gustavo; Limao-Vieira, Paulo Journal: JOURNAL OF PHYSICAL CHEMISTRY LETTERS Publication date: 2023/06/05 DOI: 10.1021/acs.jpclett.3c00786 Abstract: H2O/D2O negative ion time-of-flightmassspectra from electron transfer processes at different collision energieswith neutral potassium yield OH-/OD-, O-, and H-/D-. The branching ratios show a relevant energy dependence with animportant isotope effect in [...]

Inelastic N2+H2 collisions and quantum-classical rate coefficients: large datasets and machine learning predictions

Marcelo Castellanos2023-11-30T17:19:57+01:00Tags: Atomic, Molecular & Chemical. , Optics; Physics|

Authors: Hong, Qizhen; Storchi, Loriano; Bartolomei, Massimiliano; Pirani, Fernando; Sun, Quanhua; Coletti, Cecilia Journal: EUROPEAN PHYSICAL JOURNAL D Publication date: 2023/07/01 DOI: 10.1140/epjd/s10053-023-00688-4 Abstract: Rate coefficients for vibrational energy transfer are calculated for collisions between molecular nitrogen and hydrogen in a wide range of temperature and of initial vibrational states (v = 40 for N-2 [...]

Evaluated electron scattering cross section dataset for gaseous benzene in the energy range 0.1-1000 eV

Marcelo Castellanos2023-11-30T17:19:55+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Physical; Physics|

Authors: Garcia-Abenza, A.; Lozano, A. I.; Alvarez, L.; Oller, J. C.; Rosado, J.; Blanco, F.; Limao-Vieira, P.; Garcia, G. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/08/02 DOI: 10.1039/d3cp01908j Abstract: In this study, a complete and self-consistent cross section dataset for electron transport simulations through gaseous benzene in the energy range 0.1-1000 eV has been [...]

Helium nanodroplets as an efficient tool to investigate hydrogen attachment to alkali cations (vol 25, pg 462, 2023)

Marcelo Castellanos2023-11-30T17:19:53+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Physical; Physics|

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: 2023/06/15 DOI: 10.1039/d3cp90119j Abstract:

Coupled-oscillator model to analyze the interaction between a quartz resonator and trapped ions

Marcelo Castellanos2023-11-30T17:19:48+01:00Tags: Atomic, Molecular & Chemical. , Optics; Physics|

Authors: Altozano, E.; Berrocal, J.; Lohse, S.; Dominguez, F.; Block, M.; Garcia-Ripoll, J. J.; Rodriguez, D. Journal: PHYSICAL REVIEW A Publication date: 2023/05/30 DOI: 10.1103/PhysRevA.107.053116 Abstract: The novel application of a piezoelectric quartz resonator for the detection of trapped ions has enabled the observation of the quartz-ions interaction under nonequilibrium conditions, opening new perspectives for [...]

Absolute partial and total ionization cross sections for electron impact ionization of 2-butanol

Marcelo Castellanos2023-11-30T17:19:47+01:00Tags: Atomic, Molecular & Chemical. , Optics; Physics|

Authors: Amorim, R. A. A.; Oliveira, C. B.; Oliveira Junior, O. L.; Diniz, A. C.; Jones, D. B.; Rosado, J.; Blanco, F.; Garcia, G.; Brunger, M. J.; Lopes, M. C. A. Journal: EUROPEAN PHYSICAL JOURNAL D Publication date: 2023/09/01 DOI: 10.1140/epjd/s10053-023-00742-1 Abstract: Partial ionization cross section (PICS) measurements of the cations created through electron impact [...]

Ar+ ArH+ Reactive Collisions of Astrophysical Interest: The Case of 36Ar

Marcelo Castellanos2023-11-30T17:19:47+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Physical; Physics|

Authors: de Oca-Estevez, Maria Judit Montes; Darna, Beatriz; Garcia-Ruiz, Borja; Prosmiti, Rita; Gonzalez-Lezana, Tomas; Koner, Debasish Journal: CHEMPHYSCHEM Publication date: 2023/08/11 DOI: 10.1002/cphc.202300450 Abstract: The reactive collision between Ar-36 and the (ArH+)-Ar-36 species has been investigated by means of quantum mechanical (QM), quasiclassical trajectories (QCT) and statistical quantum mechanical (SQM) approaches. Reaction probabilities, cross sections [...]