Franck-Condon factors and vibronic patterns of singlet-triplet transitions of 16O3 molecule falling near the dissociation threshold and above

Predissociation and pressure dependence in the low frequency far wing of the Wulf absorption band of ozone near 1.2 µm

(2021) Semen Vasilchenko et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Total Internal Partition Sums for the HITRAN2020 database

(2021) Robert R. Gamache et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Towards the intensity consistency of the ozone bands in the infrared range: Ab initio corrections to the S&MPO database

(2021) Vladimir Tyuterev et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Recommendation of a consensus value of the ozone absorption cross-section at 253.65 nm based on literature review

(2019) Joseph Hodges et al.   METROLOGIA

A generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyran

(2019) Benjamin Gonon et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio predictions and laboratory validation for consistent ozone intensities in the MW, 10 and 5 μm ranges

(2019) Vl. G. Tyuterev et al.   JOURNAL OF CHEMICAL PHYSICS

The ν3 bands of 17O17O18O and 17O18O17O ozone isotopomers

(2019) Evgeniya Starikova et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

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

(2019) Chi Hong Yuen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

First-Principles Computed Rate Constant for the O + O2 Isotopic Exchange Reaction Now Matches Experiment

(2018) Grégoire Guillon et al.   Journal of Physical Chemistry Letters

Non-adiabatic coupling in the ozone molecule

(2018) Alexander Alijah et al.   MOLECULAR PHYSICS

First-principles method for calculating the rate constants of internal-conversion and intersystem-crossing transitions

(2018) R. R. Valiev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum mechanical study of the 16O + 18O18O → 16O18O + 18O exchange reaction: Integral cross sections and rate constants

(2018) P. Honvault et al.   JOURNAL OF CHEMICAL PHYSICS

Accurateab initiodipole moment surfaces of ozone: First principle intensity predictions for rotationally resolved spectra in a large range of overtone and combination bands

(2017) Vladimir G. Tyuterev et al.   JOURNAL OF CHEMICAL PHYSICS

CAP-XMCQDPT2 method for molecular electronic resonances

(2017) Alexander A. Kunitsa et al.   JOURNAL OF CHEMICAL PHYSICS

PGOPHER: A program for simulating rotational, vibrational and electronic spectra

(2017) Colin M. Western   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Absorption cross-sections of ozone in the ultraviolet and visible spectral regions: Status report 2015

(2016) Johannes Orphal et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Dynamics of the O-Atom Exchange Reaction 16O(3P) + 18O18O(3Σg–) → 16O18O(3Σg–) + 18O(3P) at Hyperthermal Energies

(2016) Sridhar A. Lahankar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Kinetic isotope effect of the 16O + 36O2 and 18O + 32O2 isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket study

(2015) Zhigang Sun et al.   JOURNAL OF CHEMICAL PHYSICS

Detection and analysis of three highly excited vibrational bands of 16O3 by CW-CRDS near the dissociation threshold

(2015) A. Campargue et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Communication: Rigorous quantum dynamics of O + O2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients

(2014) Yaqin Li et al.   JOURNAL OF CHEMICAL PHYSICS

Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection

(2014) Samer Gozem et al.   Journal of Chemical Theory and Computation

Photoisomerization Dynamics of Stiff-Stilbene in Solution

(2014) M. Quick et al.   JOURNAL OF PHYSICAL CHEMISTRY B

S&MPO – An information system for ozone spectroscopy on the WEB

(2014) Yurii L. Babikov et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Does the “Reef Structure” at the Ozone Transition State towards the Dissociation Exist? New Insight from Calculations and Ultrasensitive Spectroscopy Experiments

(2014) Vl. G. Tyuterev et al.   PHYSICAL REVIEW LETTERS

Theoretical and experimental investigation of photophysical properties of Zn(DFP SAMQ)2

(2014) R.R. Valiev et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Communication: An accurate global potential energy surface for the ground electronic state of ozone

(2013) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range

(2013) Vladimir G. Tyuterev et al.   JOURNAL OF CHEMICAL PHYSICS

Photoisomerization of Stilbene: The Detailed XMCQDPT2 Treatment

(2013) I. N. Ioffe et al.   Journal of Chemical Theory and Computation

Ozone spectroscopy in the electronic ground state: High-resolution spectra analyses and update of line parameters since 2003

(2013) A. Barbe et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Theory of mass-independent fractionation of isotopes, phase space accessibility, and a role of isotopic symmetry

(2013) R. A. Marcus   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model

(2012) Samer Gozem et al.   Journal of Chemical Theory and Computation

Predissociation and spectroscopy of the 3A2(000) state of 18O3 from CRDS spectra of the 3A2(000)←X1A1(110) hot band near 7900cm−1

(2012) Didier Mondelain et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Communication: Highly accurate ozone formation potential and implications for kinetics

(2011) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

Toward an Improved Ground State Potential Energy Surface of Ozone†

(2010) Filip Holka et al.   JOURNAL OF PHYSICAL CHEMISTRY A