Computational Catalysis—Past, Present, and Future

Thiel, Walter

doi:10.1002/anie.201402118

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Computational Catalysis—Past, Present, and Future

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Thiel, Walter
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Thiel, W. (2014). Computational Catalysis—Past, Present, and Future. Angewandte Chemie International Edition, 53(33), 8605-8613. doi:10.1002/anie.201402118.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0024-07AF-B

Abstract

The explosive growth of computational catalysis over the past two decades is reflected by the exponentially increasing number of citations. The Essay traces the historical development, illustrates the current state, and offers comments on the future perspectives of this field.