Catalysts speed up a chemical reaction or allow for reactions to take place that would not otherwise occur. The chemical nature of a catalyst and its structure

The expanded 3rd edition of this established textbook offers an updated overview and review of the computational physics techniques used in materials modelling

In August 2003, ETHZ Computational Laboratory (CoLab), together with the Swiss Center for Scientific Computing in Manno and the Università della Svizzera Itali

The book includes a historical introduction to organometallic chemistry, a survey of mechanisms, and an extensive introduction to quantum mechanical computation

While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phen