Capture of the sulfur monoxide–hydroxyl radical complex
C Chen, B Lu, X Zhao, W Qian, J Liu… - Journal of the …, 2020 - ACS Publications
The elusive hydrogen-bonded sulfur monoxide–hydroxyl radical complex (• OH··· OS), a
missing intermediate in the atmospheric chemistry of SO2, was generated in the 266 nm …
missing intermediate in the atmospheric chemistry of SO2, was generated in the 266 nm …
Roaming pathways and survival probability in real-time collisional dynamics of cold and controlled bialkali molecules
Perfectly controlled molecules are at the forefront of the quest to explore chemical reactivity
at ultra low temperatures. Here, we investigate for the first time the formation of the long-lived …
at ultra low temperatures. Here, we investigate for the first time the formation of the long-lived …
Reactivity properties of the HOSO and HSO2 isomers in liquid medium: a sequential Monte Carlo/quantum mechanics study
GMA Junqueira, MY Ballester… - Journal of Molecular …, 2023 - Springer
Context The rationalization of acid rain formation steps is fundamental for mitigating its
effects. It is believed the hydroxysulfinyl radical is an intermediate species for the production …
effects. It is believed the hydroxysulfinyl radical is an intermediate species for the production …
Quasi-classical trajectory investigation of H+ SO2→ OH+ SO reaction on full-dimensional accurate potential energy surface
J Qin, J Li, J Li - Chinese Journal of Chemical Physics, 2021 - pubs.aip.org
The reaction H+ SO2→ OH+ SO is important in the combustion and atmospheric chemistry,
as well as the interstellar medium. It also represents a typical complex-forming reaction with …
as well as the interstellar medium. It also represents a typical complex-forming reaction with …
A global potential energy surface for the ground electronic state of SSiH
DG De Castro, MY Ballester… - Journal of Physics B …, 2020 - iopscience.iop.org
An analytical global potential energy surface for the ground electronic state of SSiH is here
reported. The function is based upon ab initio energies calculated at Davidson-corrected …
reported. The function is based upon ab initio energies calculated at Davidson-corrected …
A new interpretation of the experimental data for the OH+ SO collision considering the recrossing reaction
JD Garrido, S Ellakkis, MY Ballester - Molecular Physics, 2020 - Taylor & Francis
Complexes formed in reactive collisions highlight the nature of intramolecular interactions.
The present work reports a detailed quasi-classical trajectory study of the reaction OH (vi …
The present work reports a detailed quasi-classical trajectory study of the reaction OH (vi …
A Theoretical Study of the N2 + H2 Reactive Collisions for High Vibrational and Translational Energies
JD Garrido, MY Ballester - Atmosphere, 2021 - mdpi.com
High translational temperatures appear in the air inside the shock waves layers created by
relatively large meteorites, reentry space vehicles, and hypersonic missiles. Under these …
relatively large meteorites, reentry space vehicles, and hypersonic missiles. Under these …
Relaxation processes in non-reactive collisions of H2 and N2 at high translational energies
JD Garrido, MY Ballester - Molecular Physics, 2021 - Taylor & Francis
The present work reported a full-dimension quasi-classical trajectory study of the activation
and deactivation processes in the collisions of N 2 and H 2, when one of the molecules is …
and deactivation processes in the collisions of N 2 and H 2, when one of the molecules is …
Isotope Effects on the Energy Flow and Bond Dissociations of Excited α‐Chlorotoluene in Collisions with H2/D2
SK Lee, J Ree - Bulletin of the Korean Chemical Society, 2021 - Wiley Online Library
We have studied the vibrational relaxation of excited α‐chlorotoluene and dissociations of
C Hring and C Cl bonds of α‐chlorotoluene in the α‐chlorotoluene+ H2/D2 collision at …
C Hring and C Cl bonds of α‐chlorotoluene in the α‐chlorotoluene+ H2/D2 collision at …
On apparent barrier-free reactions
M Ballester - Quarks: Brazilian Electronic Journal of Physics …, 2020 - periodicos.ufjf.br
Rate coefficients of bi-molecular chemical reactions are fundamental for kinetic models. The
rate coefficient dependence on temperature is commonly extracted from the analyses of the …
rate coefficient dependence on temperature is commonly extracted from the analyses of the …