Full quantum determination of the quasiequilibrium constant involved in the formation of ozone
G Guillon, P Honvault - Physical Review Research, 2024 - APS
Forty years ago, measurements of enrichments in O 18 in stratospheric ozone O 3 revealed
a value significantly greater than statistically expected and roughly equal in heavy isotopes …
a value significantly greater than statistically expected and roughly equal in heavy isotopes …
Spectroscopy and scattering studies using interpolated ab initio potentials
E Quintas-Sánchez, R Dawes - Annual Review of Physical …, 2021 - annualreviews.org
The Born–Oppenheimer potential energy surface (PES) has come a long way since its
introduction in the 1920s, both conceptually and in predictive power for practical …
introduction in the 1920s, both conceptually and in predictive power for practical …
Mixed quantum/classical theory for rotational energy exchange in symmetric-top-rotor+ linear-rotor collisions and a case study of the ND 3+ D 2 system
The extension of mixed quantum/classical theory (MQCT) to describe collisional energy
transfer is developed for a symmetric-top-rotor+ linear-rotor system and is applied to ND3+ …
transfer is developed for a symmetric-top-rotor+ linear-rotor system and is applied to ND3+ …
Учредители: Национальный исследовательский Томский государственный университет
ТВ ГАНДЖА, КА ИСАКОВ, АВ ШАПОВАЛОВ - Известия ВУЗов. Физика, 2022 - elibrary.ru
Наночастицы оксида титана, обладающие термической и химической стабильностью,
широкой запрещенной зоной и низкой токсичностью, являются наиболее …
широкой запрещенной зоной и низкой токсичностью, являются наиболее …
Adiabatic Trajectory Approximation within the Framework of Mixed Quantum/Classical Theory
A hierarchy of approximate methods is proposed for solving the equations of motion within a
framework of the mixed quantum/classical theory (MQCT) of inelastic molecular collisions. Of …
framework of the mixed quantum/classical theory (MQCT) of inelastic molecular collisions. Of …
Lifetimes and decay mechanisms of isotopically substituted ozone above the dissociation threshold: matching quantum and classical dynamics
Energies and lifetimes of vibrational resonances were computed for 18O-enriched
isotopologue 50O3={16O16O18O and 16O18O16O} of the ozone molecule using …
isotopologue 50O3={16O16O18O and 16O18O16O} of the ozone molecule using …
Rotational quenching of an interstellar gas thermometer: CH 3 CN⋯ He collisions
Among all the molecular species found in the interstellar medium, molecules with threefold
symmetry axes play a special role, as their rotational spectroscopy allows them to act as …
symmetry axes play a special role, as their rotational spectroscopy allows them to act as …
Analysis of thirteen absorption bands of 16O18O18O ozone isotopomer in the 950–3500 cm− 1 infrared spectral range
E Starikova, A Barbe, MR De Backer… - Journal of Quantitative …, 2020 - Elsevier
Thirteen bands of the CS symmetry 16 O 18 O 18 O ozone isotopic species were observed
in spectra generated from 16 O 2/18 O 2 mixtures recorded between 950 and 3500 cm− 1 …
in spectra generated from 16 O 2/18 O 2 mixtures recorded between 950 and 3500 cm− 1 …
Ab initio study of the O3–N2 complex: Potential energy surface and rovibrational states
YN Kalugina, O Egorov, A van der Avoird - The Journal of Chemical …, 2021 - pubs.aip.org
The formation and destruction of O 3 within the Chapman cycle occurs as a result of inelastic
collisions with a third body. Since N 2 is the most abundant atmospheric molecule, it can be …
collisions with a third body. Since N 2 is the most abundant atmospheric molecule, it can be …
Comparative Analysis of the Interaction Potentials of the Ozone Molecule with Atoms of Noble Gases: O3–Ar and O3–He Complexes
OV Egorov, AK Tretyakov - Russian Physics Journal, 2020 - Springer
The interaction energy of the ozone molecule with atoms of noble gases (Ar and He) is
analyzed. The coupled cluster methods CCSD (T) and CCSD (T)-F12 with orbital basis sets …
analyzed. The coupled cluster methods CCSD (T) and CCSD (T)-F12 with orbital basis sets …