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Theoretical studies of chemical dynamics in complex systems: Nanoconfined water, microdroplets, biomolecular hydration layer, and water-mediated protein association
The thesis contains theoretical studies of the structure and dynamics in different complex systems. Depending on the systems and properties of interest we divide the thesis into five parts. In the first part, we study ...
Microscopic Investigations of Dynamics of Linear Diatomics and Ions in Water and Aqueous Binary Mixtures
This thesis explores the structural and dynamical aspects of small, charged and neutral, solute molecules in both pure water and in aqueous binary mixtures, with emphasis on water-ethanol binary mixture. We employ both ...