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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
14861994
A perspective on enzyme catalysis
SJ Benkovic, S Hammes-Schiffer
Science 301 (5637), 1196-1202, 2003
14772003
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), 2021
8482021
Theory of coupled electron and proton transfer reactions
S Hammes-Schiffer, AA Stuchebrukhov
Chemical reviews 110 (12), 6939-6960, 2010
8222010
Relating protein motion to catalysis
S Hammes-Schiffer, SJ Benkovic
Annu. Rev. Biochem. 75 (1), 519-541, 2006
7262006
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
5942016
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
5652002
Theoretical perspectives on proton-coupled electron transfer reactions
S Hammes-Schiffer
Accounts of chemical research 34 (4), 273-281, 2001
4942001
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
4472008
Proton-coupled electron transfer: Moving together and charging forward
S Hammes-Schiffer
Journal of the American Chemical Society 137 (28), 8860-8871, 2015
4282015
Theory of proton-coupled electron transfer in energy conversion processes
S Hammes-Schiffer
Accounts of chemical research 42 (12), 1881-1889, 2009
4142009
Artificial photosynthesis and solar fuels
L Hammarstrom
Accounts of chemical research 42 (12), 1859-1860, 2009
3582009
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
3522002
Electrocatalysis in alkaline media and alkaline membrane-based energy technologies
Y Yang, CR Peltier, R Zeng, R Schimmenti, Q Li, X Huang, Z Yan, G Potsi, ...
Chemical Reviews 122 (6), 6117-6321, 2022
3242022
Free-energy landscape of enzyme catalysis
SJ Benkovic, GG Hammes, S Hammes-Schiffer
Biochemistry 47 (11), 3317-3321, 2008
3112008
Hydrogen tunneling and protein motion in enzyme reactions
S Hammes-Schiffer
Accounts of chemical research 39 (2), 93-100, 2006
2992006
Quinone 1 e and 2 e/2 H+ Reduction Potentials: Identification and Analysis of Deviations from Systematic Scaling Relationships
MT Huynh, CW Anson, AC Cavell, SS Stahl, S Hammes-Schiffer
Journal of the American Chemical Society 138 (49), 15903-15910, 2016
2932016
Flexibility, diversity, and cooperativity: pillars of enzyme catalysis
GG Hammes, SJ Benkovic, S Hammes-Schiffer
Biochemistry 50 (48), 10422-10430, 2011
2902011
Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes
BH Solis, S Hammes-Schiffer
Inorganic chemistry 50 (21), 11252-11262, 2011
2452011
Hydrogen tunneling in enzymes and biomimetic models
JP Layfield, S Hammes-Schiffer
Chemical reviews 114 (7), 3466-3494, 2014
2442014
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