Background Outbreaks of airborne viral infections, such as COVID-19, can cause panic
regarding other severe respiratory syndrome diseases that may develop and affect public …

The two lowest electronic states of the lithium superoxide radical, LiO 2, have been
investigated using ab initio theoretical techniques, including RHF SCF, CISD, Davidson …

The reflected shock tube technique with multipass absorption spectrometric detection of OH-
radicals at 308 nm, corresponding to a total path length of∼ 2.8 m, has been used to study …

We describe a computer program for ab initio quantum mechanical calculations of atomic
and molecular wavefunctions and energies. Capabilities for the calculation of energy …

Enthalpies of formation of trioxy radicals, ROOO, with R H, CH3, and C2H5, are calculated,
along with values for the corresponding species R, RO, RO2, RO2H, and RO3H using the …

Kinetic parameters related to vibrational deactivation and chemical removal of vibrationally
excited OH radicals in the mesosphere are deduced from ground‐based measurements of …

Odd‐hydrogen (any hydrogen‐oxygen radical containing but a single hydrogen atom) plays
a key role in atmospheric chemistry, particularly in the chemistry of ozone. Notable is also …

The HO3 and HO4 polyoxide radicals have attracted some attention due to their potential
role in ozone chemistry. Experimentally, the geometrical structure of HO3 is known whereas …

Abstract The atmospheric reaction (1) OH+ O3→ HO2+ O2 was investigated theoretically by
using MP2, QCISD, QCISD (T), and CCSD (T) methods with various basis sets. At the …

In this work, a machine learning method is used to construct a high-fidelity multichannel
global reactive potential energy surface (PES) for the HO3 system from 21452 high-level ab …