Abstract Quantum Molecular Dynamics simulations of protactinium (V) fluoro and oxofluoro complexes in solution were undertaken using density functional theory with generalised gradient approximation (and the ABINIT software package). The studied gas phase (at 0 K) 298 water molecules as solvent. We characterised all systems, taking into account their structures, dissociation energies, bond leng...

The development of surface coatings demands a better understanding surface/interface chemistry to design high-performance coating materials. We have studied the polymerization processes mussel-inspired adhesive protein, Dopamine. Molecular level insight on mechanism thin film formation during has been probed using sum frequency generation vibrational spectroscopy. investigations polydopamine fi...