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Structure, Thermodynamics and Dynamics in Complex Systems: From Stability of Biomolecules to Phase Transitions in Polymorphic Ice
This thesis deals with the understanding of the structure, dynamics and thermodynamics in complex systems (proteins, hydration layers, DNA, ice polymorphs) by employing computer simulations, theoretical analysis, and in ...
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 ...