ABSTRACT

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References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 330

11.1.1 General Remarks Catalysis is the workhorse of chemistry due to the important challenges in environmental, energetic, and industrial applications. Catalysis was born as purely empirical, but it benets nowadays from basic and applied sciences and has become a multidisciplinary eld. It prots from advances in fundamental research, but also motivates the development of novel approaches combining complementary concepts and techniques. Besides the rapid extension of experimental improvements in synthesis and characterization of catalysts and processes, modeling has become a powerful tool to understand the mechanism of catalysis. Interestingly, theoretical works were usually supported/conrmed by experimental results some decades ago, but it is nowadays quite common to include calculations to support experimental data.