Carbon-carbon bond formation is the core of organic synthesis and has been greatly
changed in the last decades by the development of transition metal-catalyzed processes. 1 …

Up to this point, the electronic structure method to calculate the ab initio forces rIh jHej i was
not speci ed in detail. It is immediately clear that ab initio molecular dynamics is not tied to …

Stoichiometric and catalytic transition-metal reactions have attracted great interest for their
many applications in industrial and synthetic processes. Transition-metal reactions are …

The coordination of alkanes to transition metals is counterintuitive; they are notoriously
unreactive and possess none of the properties associated with good ligands. An example of …

Catalytic functionalization of unreactive CH bond has become one of the most attractive
research subjects in modern organic chemistry. To date, a variety of catalytic reactions …

It is customary1 to analyze a chemical process as a series of several elementary reaction
steps. In every elementary step, a transformation takes place from one minimum on the …

Looking backward at the beginning of the new millennium, dramatic progress in the scope
and the accuracy of quantum chemistry can be seen, particulary when current applications …

In coordination chemistry, many reactions involve several electronic states, in particular
states of different spin. This phenomenon of 'Multiple-State Reactivity'has been recognized …

can be attributed to the discovery and development of the metallocenes by Wilkinson and
Fischer, 1 the field has been and is still dominated by compounds that follow the so-called …

The chemistry of palladium and platinum is one of the most extensive and versatile fields of
chemistry. This results from the fact that these two metals can very easily form adducts with …