Flame-sampling molecular-beam mass spectrometry of premixed, laminar, low-pressure flat
flames has been demonstrated to be an efficient tool to study combustion chemistry. In this …

The present review is focused on the application of computational/theoretical methods to the
wide and rich chemistry of allenes. Special emphasis is made on the interplay and synergy …

A new collection of photodissociation and photoionisation cross sections for 102 atoms and
molecules of astrochemical interest has been assembled, along with a brief review of the …

There has been great progress in the development of potential energy surfaces (PESs) for
reaction dynamics that are fits to ab initio energies. The fitting techniques described here …

Kinetic modeling is becoming a powerful tool for the quantitative description of combustion
processes covering different fuels and large ranges of temperature, pressure and …

Technical details of a new global mapping technique for finding equilibrium (EQ) and
transition structures (TS) on potential energy surfaces (PES), the scaled hypersphere search …

Using various forms of electronic-structure theory to characterize the important features of
the potential energy surface, RRKM theory to calculate microcanonical rate coeffients, and …

The Duschinsky effect has been shown to be significant in spectroscopy and dynamics of
molecules that involve the π− π* transitions. In this paper, we present a derivation of exact …

Photoionization mass spectrometry using tunable vacuum-ultraviolet synchrotron radiation is
applied to the study of C3H2 sampled from a rich cyclopentene flame. The photoionization …

In our laboratory a recent series of experiments by means of the crossed molecular beam
(CMB) scattering technique with mass-spectrometric detection and time-of-flight analysis has …