The present state of knowledge of organic, or carbon-based, peroxy radicals (RO 2) is
reviewed. Data on the chemical and physical properties of peroxy radicals in the gas-phase …

High-throughput approaches for producing approximate vibrational spectral data for
molecules of astrochemistry interest rely on harmonic frequency calculations using …

Recently developed analytic third-derivative methods for self-consistent-field (SCF)
wavefunctions have made it possible to theoretically determine a number of anharmonic …

It is a great challenge in chemistry to clarify every detail of reaction processes. In older days
chemists mixed starting materials in a flask and took the resul tants out of it after a while …

Shifts in the ground-state vibrational fundamental frequencies of diatomic and small
polyatomic free radicals, molecular ions, and other short-lived molecules upon trapping in …

This paper reports theoretical gas-phase structures and energetics using G2 (MP2) theory
for saturated oxygen chains of the general formula HO n H. Structural trends are discussed …

The ν1 band of the DO2 radical was observed by difference frequency laser and diode laser
spectroscopy with Zeeman modulation. The radical was produced by a 60 Hz discharge in a …

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 488 nm photoelectron spectra of HCO− and DCO− show vibrational structure in the X ̃ 2
A′ state of neutral formyl radical up to 10 000 cm− 1 above the vibrational ground state …

The generation, propagation, measurement, and applications of IR and near-mm-
wavelength radiation are discussed from both theoretical and practical perspectives in a …