Abstract Structure and dynamics of electronic excited states of molecular systems is of
contemporary interest to understand a rich variety of processes ranging from molecular …

We report the observation of a symmetry-forbidden excited quadrupole-bound state (QBS) in
the tetracyanobenzene anion (TCNB–) using both photoelectron and photodetachment …

We recently implemented our parallelized quantum-classical dynamical approach, known as
the Time-Dependent Discrete Variable Representation (TDDVR) method, which is applied to …

A theoretical study of the photoabsorption spectroscopy of hexafluorobenzene (HFBz) is
presented in this paper. The chemical effect due to fluorine atom substitution on the …

We report multimode vibronic coupling of the energetically low-lying electronic states of
phenol and pentafluorophenol in this article. First principles nuclear dynamics calculations …

Vibronic coupling in the first eight electronic excited states of Pentafluorobenzene (PFBz) is
investigated in this article. In particular, the vibronic coupling between the optically bright …

Nuclear dynamics in the first six vibronically coupled electronic states of pentafluorobenzene
radical cation is studied with the aid of the standard vibronic coupling theory and quantum …

The first vacuum ultraviolet absorption spectrum of a 1, 2, 4-triazole has been obtained and
analyzed in detail, with assistance from both an enhanced UV photoelectron spectroscopic …

The first vacuum-ultraviolet absorption spectrum of pyridine-N-oxide has been obtained, and
has led to the identification of nearly 30 Rydberg states. These states were identified by use …

“Theoretical studies of multi-state and multi-mode dynamics of polyatomic molecules” is a
topic of current interest, covering many essential topics in modern theoretical chemistry. It is …