ELEMENTARY MODERN CHEMISTRY

By G. LAMAR

QUANTUM CHEMICAL INVESTIGATIONS OF REACTION PATHS OF METALLOENZYMES AND BIOMIMETIC MODELS – THE HYDROGENASE EXAMPLE THEORETICAL BIOINORGANIC SPECTROSCOPY FIRST-PRINCIPLES APPROACH TO VIBRATIONAL SPECTROSCOPY OF BIOMOLECULES CAR–PARRINELLO MOLECULAR DYNAMICS SIMULATIONS AND BIOLOGICAL SYSTEMS QM/MM METHODS FOR BIOLOGICAL SYSTEMS TRANSITION PATH SAMPLING SIMULATIONS OF BIOLOGICAL SYSTEMS PCRA HELICASE, A MOLECULAR MOTOR STUDIED FROM THE ELECTRONIC TO THE FUNCTIONAL LEVEL