Algorithms 4 Chemical relaxation 4 Diffuse density profile 4 Diffusion 4 Electron photodetachment 4 Electronic excitation 4 Electronic properties 4 Equilibrium solvation structures 4 Ground state 4 Mathematical models 4 Molecular dynamics 4 Molecular structure 4 Photochemical reactions 4 Quantum theory 4 Solutions 4 Solvation dynamics 4 Surface states 4