| Proton transfer in solution: Molecular dynamics with quantum transitions S Hammes‐Schiffer, JC Tully The Journal of chemical physics 101 (6), 4657-4667, 1994 | 1487 | 1994 |
| A perspective on enzyme catalysis SJ Benkovic, S Hammes-Schiffer Science 301 (5637), 1196-1202, 2003 | 1477 | 2003 |
| 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 | 838 | 2021 |
| Theory of coupled electron and proton transfer reactions S Hammes-Schiffer, AA Stuchebrukhov Chemical reviews 110 (12), 6939-6960, 2010 | 819 | 2010 |
| Relating protein motion to catalysis S Hammes-Schiffer, SJ Benkovic Annu. Rev. Biochem. 75 (1), 519-541, 2006 | 724 | 2006 |
| 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 | 593 | 2016 |
| 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 | 564 | 2002 |
| Theoretical perspectives on proton-coupled electron transfer reactions S Hammes-Schiffer Accounts of chemical research 34 (4), 273-281, 2001 | 494 | 2001 |
| 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 | 445 | 2008 |
| Proton-coupled electron transfer: Moving together and charging forward S Hammes-Schiffer Journal of the American Chemical Society 137 (28), 8860-8871, 2015 | 426 | 2015 |
| Theory of proton-coupled electron transfer in energy conversion processes S Hammes-Schiffer Accounts of chemical research 42 (12), 1881-1889, 2009 | 410 | 2009 |
| Artificial photosynthesis and solar fuels L Hammarstrom Accounts of chemical research 42 (12), 1859-1860, 2009 | 358 | 2009 |
| 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 | 351 | 2002 |
| 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 | 316 | 2022 |
| Free-energy landscape of enzyme catalysis SJ Benkovic, GG Hammes, S Hammes-Schiffer Biochemistry 47 (11), 3317-3321, 2008 | 311 | 2008 |
| Hydrogen tunneling and protein motion in enzyme reactions S Hammes-Schiffer Accounts of chemical research 39 (2), 93-100, 2006 | 299 | 2006 |
| 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 | 291 | 2016 |
| Flexibility, diversity, and cooperativity: pillars of enzyme catalysis GG Hammes, SJ Benkovic, S Hammes-Schiffer Biochemistry 50 (48), 10422-10430, 2011 | 290 | 2011 |
| Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes BH Solis, S Hammes-Schiffer Inorganic chemistry 50 (21), 11252-11262, 2011 | 244 | 2011 |
| Hydrogen tunneling in enzymes and biomimetic models JP Layfield, S Hammes-Schiffer Chemical reviews 114 (7), 3466-3494, 2014 | 242 | 2014 |