Catalysts by design: The power of theory

Sharon Hammes-Schiffer

doi:10.1021/acs.accounts.6b00555

Catalysts by design: The power of theory

Sharon Hammes-Schiffer

Research output: Contribution to journal › Review article › peer-review

68 Scopus citations

Abstract

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 language	English (US)
Pages (from-to)	561-566
Number of pages	6
Journal	Accounts of chemical research
Volume	50
Issue number	3
DOIs	https://doi.org/10.1021/acs.accounts.6b00555
State	Published - Mar 21 2017
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Chemistry

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10.1021/acs.accounts.6b00555

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title = "Catalysts by design: The power of theory",

abstract = "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.",

author = "Sharon Hammes-Schiffer",

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AB - 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.

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U2 - 10.1021/acs.accounts.6b00555

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M3 - Review article

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Catalysts by design: The power of theory

Abstract

All Science Journal Classification (ASJC) codes

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