Catalysts by design: The power of theory

Research output: Contribution to journalReview articlepeer-review

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Theoretical design of effective catalysts, in conjunction with the identification of guiding design principles and strategies, is a Holy Grail in Chemistry. Although further progress will benefit from additional computational advances, theoretical studies have already enhanced the design of molecular electrocatalysts, photocatalysts, and enzymes.

Original languageEnglish (US)
Pages (from-to)561-566
Number of pages6
JournalAccounts of chemical research
Issue number3
StatePublished - Mar 21 2017
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Chemistry


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