Complex reactive processes in the gas phase often proceed via numerous reaction steps
and intermediate species that must be identified and quantified to develop an understanding …

Exploiting the machinery of Constrained Density Functional Theory (CDFT), we propose a
variational method for calculating low-lying excited states of molecular systems. We dub this …

The reaction of the OH radical with isoprene, C5H8 (R1), has been studied over the
temperature range 298–794 K and bath gas pressures of nitrogen from 50 to 1670 Torr …

Double-imaging photoelectron/photoion coincidence (i2PEPICO) spectroscopy using a
multiplexing, time-efficient, fixed-photon-energy approach offers important opportunities of …

As a highly reactive dialkenes similar to isoprene, 1, 3‐butadiene (BD) is rapidly oxidized
and fully involved in atmospheric oxidation processes. We have established a method for …

The weak absorption spectra of isoprene and acetone have been measured in the
wavelength range of 261–275 nm using cavity ringdown spectroscopy. The measured …

Absorption of deep-ultraviolet photons gives rise to intense vibronic transitions in molecules
and can be exploited for sensitive and selective quantification of trace gases. Accurate …

Conjugated diolefins are not only crucial intermediates in larger hydrocarbon pyrolysis and
oxidation, but also key species in the formation and growth of polycyclic aromatic …

Photoion mass-selected threshold photoelectron spectroscopy (ms-TPES) was used to
identify the isoprene pyrolysis products in a SiC microreactor at 1400° C with the help of …

The first ab initio calculations of the vertical excitation energies and oscillator strengths are
presented for the neutral electronic transitions of methyl formate, C2H4O2. The highest …