TY - JOUR
T1 - Catalysts by design
T2 - The power of theory
AU - Hammes-Schiffer, Sharon
N1 - Publisher Copyright:
© 2017 American Chemical Society.
PY - 2017/3/21
Y1 - 2017/3/21
N2 - 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.
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.
UR - http://www.scopus.com/inward/record.url?scp=85019570075&partnerID=8YFLogxK
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U2 - 10.1021/acs.accounts.6b00555
DO - 10.1021/acs.accounts.6b00555
M3 - Review article
C2 - 28945421
AN - SCOPUS:85019570075
SN - 0001-4842
VL - 50
SP - 561
EP - 566
JO - Accounts of chemical research
JF - Accounts of chemical research
IS - 3
ER -