The dream of theoretical surface chemistry is to predict the outcome of reactions in order to
find the ideal catalyst for a certain application. Having a working ab initio theory in hand …

Our general framework for the simulation of vibrational signatures in electronic spectra has
been extended to treat one large-amplitude motion (LAM) at the anharmonic level, coupled …

Mass selected slow photoelectron spectra (SPES) of three boron-containing reactive
species, BH2, BH, and BF were recorded by double imaging photoion–photoelectron …

We present quantum-state and velocity resolved experiments for molecular beam scattering
of acetylene (C2H2) from a single-crystal Au (111) surface, observations that reveal …

A full-dimensional Franck-Condon calculation has been applied to the A 1Au—X 1+ g
transition in acetylene in the harmonic normal mode basis. Details of the calculation are …

We report two new experimental schemes to obtain rotationally resolved high-resolution
spectra of predissociated S 1 acetylene levels in the 47 000-47 300 cm− 1 energy region (∼ …

The generalized oscillator strengths of the low-lying valence-shell excitations of N 2, O 2,
and C 2 H 2 have been studied by the high-energy electron scattering, the high-resolution …

In a recent paper, we demonstrated that one-colour (∼ 220 nm), resonance-enhanced (S 1−
S 0), photodissociation of acetylene generates strong C 2 Swan band (d 3 Π g− a 3 Π u) and …

The acetylene emission spectrum from the trans-bent electronically excited à state to the
linear ground electronic X̃ state has attracted considerable attention because it grants …

We report the observation of eigenstates that embody large-amplitude, local-bending
vibrational motion in acetylene by stimulated emission pumping spectroscopy via vibrational …