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Sharon Hammes-Schiffer
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Year
Proton transfer in solution: Molecular dynamics with quantum transitions
S Hammes‐Schiffer, JC Tully
The Journal of chemical physics 101 (6), 4657-4667, 1994
13251994
A perspective on enzyme catalysis
SJ Benkovic, S Hammes-Schiffer
Science 301 (5637), 1196-1202, 2003
13122003
Theory of coupled electron and proton transfer reactions
S Hammes-Schiffer, AA Stuchebrukhov
Chemical reviews 110 (12), 6939-6960, 2010
7012010
Relating protein motion to catalysis
S Hammes-Schiffer, SJ Benkovic
Annu. Rev. Biochem. 75, 519-541, 2006
6762006
Network of coupled promoting motions in enzyme catalysis
PK Agarwal, SR Billeter, PTR Rajagopalan, SJ Benkovic, ...
Proceedings of the National Academy of Sciences 99 (5), 2794-2799, 2002
5412002
Hydrogenase enzymes and their synthetic models: the role of metal hydrides
D Schilter, JM Camara, MT Huynh, S Hammes-Schiffer, TB Rauchfuss
Chemical reviews 116 (15), 8693-8749, 2016
4652016
Theoretical perspectives on proton-coupled electron transfer reactions
S Hammes-Schiffer
Accounts of chemical research 34 (4), 273-281, 2001
4612001
Proton-coupled electron transfer in solution, proteins, and electrochemistry
S Hammes-Schiffer, AV Soudackov
The Journal of Physical Chemistry B 112 (45), 14108-14123, 2008
3992008
Theory of proton-coupled electron transfer in energy conversion processes
S Hammes-Schiffer
Accounts of Chemical Research 42 (12), 1881-1889, 2009
3612009
Proton-coupled electron transfer: Moving together and charging forward
S Hammes-Schiffer
Journal of the American Chemical Society 137 (28), 8860-8871, 2015
3402015
Artificial photosynthesis and solar fuels
L Hammarstrom
Accounts of chemical research 42 (12), 1859-1860, 2009
3152009
Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations
SP Webb, T Iordanov, S Hammes-Schiffer
The Journal of chemical physics 117 (9), 4106-4118, 2002
3072002
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 084801, 2021
2822021
Free-energy landscape of enzyme catalysis
SJ Benkovic, GG Hammes, S Hammes-Schiffer
Biochemistry 47 (11), 3317-3321, 2008
2812008
Hydrogen tunneling and protein motion in enzyme reactions
S Hammes-Schiffer
Accounts of chemical research 39 (2), 93-100, 2006
2722006
Flexibility, diversity, and cooperativity: pillars of enzyme catalysis
GG Hammes, SJ Benkovic, S Hammes-Schiffer
Biochemistry 50 (48), 10422-10430, 2011
2502011
Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes
BH Solis, S Hammes-Schiffer
Inorganic chemistry 50 (21), 11252-11262, 2011
2312011
Proton-coupled electron transfer in soybean lipoxygenase
E Hatcher, AV Soudackov, S Hammes-Schiffer
Journal of the American Chemical Society 126 (18), 5763-5775, 2004
2282004
Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion
SR Billeter, SP Webb, PK Agarwal, T Iordanov, S Hammes-Schiffer
Journal of the American Chemical Society 123 (45), 11262-11272, 2001
2202001
Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution
A Soudackov, S Hammes-Schiffer
The Journal of Chemical Physics 113 (6), 2385-2396, 2000
2192000
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