593 citations
- Centre National de la Recherche ScientifiqueFR145 papers
- Université de BordeauxFR114 papers
- Laboratoire d'Astrophysique de BordeauxFR52 papers
- Sorbonne UniversitéFR36 papers
- Institut du CerveauFR24 papers
- Université Paris Sciences et LettresFR20 papers
- Université Paris-SaclayFR19 papers
- Laboratoire d’Etudes du Rayonnement et de la Matière en Astrophysique et AtmosphèresFR16 papers
- Aix-Marseille UniversitéFR15 papers
- Instituto de Física FundamentalES15 papers
- Spanish National ObservatoryES14 papers
- InsermFR13 papers
35 papers · 1 filter
Quantum Dynamical and isotopic effects for Hydrogen isotopes scattering at W(110) surface
Raúl Bombín, Oihana Galparsoro, Daniel Peláez +3
We investigate the scattering of hydrogen isotopes at the W(110) surface using both classical and quantum dynamics approaches to elucidate the role of quantum effects in this syste…
Response of fluorescent molecular rotors in ternary macromolecular mixtures
Mingshan Chi, Anh-Thy Bui, Pierre Lidon +1
For a few decades, Fluorescent Molecular Rotors have been commonly employed as local probes of microviscosity in complex materials. However, without proper calibration, relating mi…
Asymmetry and coverage dependence in two-pulse correlation measurements of CO photodesorption from Pd(111): Insights from theory
Raúl Bombín, Alberto S. Muzas, Alfredo Serrano Jiménez +2
Two-pulse correlation experiments performed using pulses of different intensities on Pd(111) with different CO coverages showed that the CO photodesorption probability depends on w…
Applying R-Matrix Theory to Atom-Molecule Inelastic Collisions: the case study of HO + H
Ricardo Manuel García-Vázquez, Lisan David Cabrera-González, Otoniel Denis-Alpizar +2
The present study presents a comprehensive theoretical investigation of atom and asymmetric top molecule inelastic scattering based on the R-matrix formalism. The proposed methodol…
Scattering of CO from Vacant-MoSe with O Adsorbates: Is CO Formed?
Raúl Bombín, Ricardo Díez Muiño, J. Iñaki Juaristi +1
Using ab initio molecular dynamics (AIMD) simulations, based on density functional theory that also accounts for van der Waals interactions, we study the oxidation of gas phase CO…
Low temperature formation of pyridine and (iso)quinoline via neutral neutral reactions
Zhenghai Yang, Chao He, Shane J. Goettl +9
Aromatic molecules represent fundamental building blocks in prebiotic chemistry and are contemplated as vital precursors to DNA and RNA nitrogen bases. However, despite the identif…