The Role of Ozone Vibrational Resonances in the Isotope Exchange Reaction 16O16O + 18O → 18O16O + 16O: The Time-Dependent Picture

CH Yuen, D Lapierre, F Gatti… - The Journal of …, 2019 - ACS Publications
We consider the time-dependent dynamics of the isotope exchange reaction in collisions
between an oxygen molecule and an oxygen atom: 16O16O+ 18O→ 16O18O+ 16O. A …

Several levels of theory for description of isotope effects in ozone: Symmetry effect and mass effect

A Teplukhin, D Babikov - The Journal of Physical Chemistry A, 2018 - ACS Publications
The essential components of theory for the description of isotope effects in recombination
reaction that forms ozone are presented, including the introduction of three reaction …

Diagonal Born–Oppenheimer corrections to the ground electronic state potential energy surfaces of ozone: improvement of ab initio vibrational band centers for the 16 …

A Tajti, PG Szalay, R Kochanov… - Physical Chemistry …, 2020 - pubs.rsc.org
Mass-dependent diagonal Born–Oppenheimer corrections (DBOCs) to the ab initio
electronic ground state potential energy surface for the main 16O3 isotopologue and for …

Quantum Dynamics of the 17O + 32O2 Collision Process

G Guillon, P Honvault - The Journal of Physical Chemistry A, 2016 - ACS Publications
We report full quantum integral and differential cross sections and rate constants for the
17O+ 32O2 reactive process. This constitutes the first quantum scattering study of the …

Theoretical Studies of Collisions Involving Three Bodies and Electron-Molecule Collisions Relevant to Astrophysical and Atmospheric Conditions

CH Yuen - 2020 - stars.library.ucf.edu
Accurate rate coefficients of atomic and molecular processes allow us to probe the
conditions in space and understand the history of the Universe. Although experimental rate …

[PDF][PDF] Electronic Supplementary Information: Diagonal Born-Oppenheimer corrections to the ground electronic state potential energy surfaces of ozone: improvement …

A Tajti, PG Szalay, R Kochanov, VG Tyuterev - … .s3.amazonaws.com
Mass-dependent diagonal Born-Oppenheimer corrections (DBOC) to the ab initio electronic
ground state potential energy surface for the main 16O3 isotopologue and for homogeneous …