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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
14161994
A perspective on enzyme catalysis
SJ Benkovic, S Hammes-Schiffer
Science 301 (5637), 1196-1202, 2003
13912003
Theory of coupled electron and proton transfer reactions
S Hammes-Schiffer, AA Stuchebrukhov
Chemical reviews 110 (12), 6939-6960, 2010
7652010
Relating protein motion to catalysis
S Hammes-Schiffer, SJ Benkovic
Annu. Rev. Biochem. 75, 519-541, 2006
7002006
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
5892021
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
5672002
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
5342016
Theoretical perspectives on proton-coupled electron transfer reactions
S Hammes-Schiffer
Accounts of chemical research 34 (4), 273-281, 2001
4832001
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
4232008
Proton-coupled electron transfer: Moving together and charging forward
S Hammes-Schiffer
Journal of the American Chemical Society 137 (28), 8860-8871, 2015
3862015
Theory of proton-coupled electron transfer in energy conversion processes
S Hammes-Schiffer
Accounts of Chemical Research 42 (12), 1881-1889, 2009
3852009
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
3452002
Artificial photosynthesis and solar fuels
L Hammarstrom
Accounts of chemical research 42 (12), 1859-1860, 2009
3422009
Free-energy landscape of enzyme catalysis
SJ Benkovic, GG Hammes, S Hammes-Schiffer
Biochemistry 47 (11), 3317-3321, 2008
2972008
Hydrogen tunneling and protein motion in enzyme reactions
S Hammes-Schiffer
Accounts of chemical research 39 (2), 93-100, 2006
2882006
Flexibility, diversity, and cooperativity: pillars of enzyme catalysis
GG Hammes, SJ Benkovic, S Hammes-Schiffer
Biochemistry 50 (48), 10422-10430, 2011
2792011
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
2532016
Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes
BH Solis, S Hammes-Schiffer
Inorganic chemistry 50 (21), 11252-11262, 2011
2382011
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
2352004
Improvement of the internal consistency in trajectory surface hopping
JY Fang, S Hammes-Schiffer
The Journal of Physical Chemistry A 103 (47), 9399-9407, 1999
2291999
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