Traditionally, over the last century, approaches used to elucidate the 'static'and the
'dynamic'nature of chemical bonding have been fundamentally different. The 'static'nature of …

This contribution presents numerical simulations of N-electron dynamics in heterocyclic five-
membered ring molecules to shed light on the effect of molecular symmetry on attosecond …

Understanding the interaction between strong laser field and energetic molecules is an
important task for practical implementation of the laser-induced ignition for high energy …

One of the factors that limits the application of the single active electron (SAE) formalism to
simulate the high harmonic generation (HHG) spectra of atoms and molecules using the …

Hydrogen bond in protein structure is a dynamic topic in research community. 2-Pyridone
attached to amide forms hydrogen bond in the protein structure. Instead of amide, a number …

The now well-established area of femtosecond dynamics (so-called femtochemistry)
accesses the motion of nuclei: this nuclear rearrangement is the later development of …

In this article, I have presented quantum mechanical treatment of methanol formation
reaction from methane water-ice cluster after ionization with high energy photons. To mimic …