The question of how to describe the crossing of molecular electronic states is one of the
most challenging issues in contemporary chemical dynamics. In recent years, the …

Helium droplets are unique hosts for isolating diverse molecular ions for infrared
spectroscopic experiments. Recently, it was found that electron impact ionization of ethylene …

We face with the general problem of defining a reduced number of effective collective
coordinates to describe accurately the short-time nonadiabatic dynamics of large semirigid …

The Hamiltonian describing E× e Jahn–Teller (JT) coupling and (E+ A)×(e+ a) pseudo-JT
(PJT) coupling is developed beyond the standard JT theory for the example of XY3 systems …

The pulsed-field-ionization zero-kinetic-energy photoelectron spectrum of C2H6 has been
recorded in the region of the adiabatic ionization threshold. The partially rotationally …

The structure and transformations of radical cations derived from saturated hydrocarbons in
the gas phase and solution may be, in most cases, predicted with high‐level computational …

High-accuracy ab initio calculations have been carried out on ethane and its radical cation.
With the HEAT-345 (Q) scheme, adiabatic ionization potentials of 11.52 and 11.57 eV are …

Static and dynamic aspects of the Jahn–Teller (JT) and pseudo-Jahn–Teller (PJT)
interactions between the ground and first excited electronic states of the methyl cyanide …

We simulate the resonance Raman spectra of trans-stilbene using a recently developed time-
independent method that allows computations of the full two-dimensional spectrum as a …

Jahn-Teller (JT) and pseudo-Jahn-Teller (PJT) effects in the ground, first and second excited
electronic states of the trifluoromethane radical cation are theoretically examined here …