 |
|
|
|
MO-Theory, QM/MM-calculations of metalloenzymes, Reaction Profiling
|
|
|
|
|
|
Reaction energies, Structures of less stable isomers, Unusual bonding situations, including radicals, Transition state structures, Reaction mechanisms
|
|
|
|
|
|
Molecular dynamics simulations of colliding strongly interacting quantum systems, statistical approaches to the decay of highly excited finite quantum systems
|
|
|
|
|
|
Quantum Dynamics, Ab Initio Molecular Dynamics, Electronic Structure
|
|
|
|
|
|
Computational Quantum Chemistry, Physical Chemistry, Materials Chemistry
|
|
|
|
|
|
Comparison of ground and excited state reaction readical pathways, Origin of protein photocycles and photoinduced metalloprotein structural changes
|
|
|
|
|
