This author has not written his bio yet.
But we are proud to say that Jiayun Zhong contributed 59 entries already.
340. Q. Yu and S. Hammes-Schiffer, “Multidimensional quantum dynamical simulation of infrared spectra under polaritonic vibrational strong coupling,” J. Phys. Chem. Lett. 13, 11253-11261 (2022). DOI: 10.1021/acs.jpclett.2c03245
339. P. Hutchison, R. E. Warburton, Y. Surendranath, and S. Hammes-Schiffer, “Correlation between electronic descriptor and proton-coupled electron transfer thermodynamics in doped graphite-conjugated catalysts,” J. Phys. Chem. Lett. 13, 11216-11222 (2022). DOI: 10.1021/acs.jpclett.2c03278
338. M. Kessinger, A. V. Soudackov, J. Schneider, R. E. Bangle, S. Hammes-Schiffer, and G. J. Meyer, “Reorganization energies for interfacial proton-coupled electron transfer to a water oxidation catalyst,” J. Am. Chem. Soc. 144, 20514-20524 (2022). DOI: 10.1021/jacs.2c09672
337.Y. Yang, R. G. Agarwal, P. Hutchison, R. Rizo, A. V. Soudackov, X. Lu, E. Herrero, J. M. Feliu, S. Hammes-Schiffer, J. M. Mayer, and H. D. Abruña, “Inverse kinetic isotope effects on the oxygen reduction reaction at Pt single crystals,” Nat. Chem. (2022). DOI: 10.1038/s41557-022-01084-y
336. A. Liu, M. Chow, A. Wildman, M. J. Frisch, S. Hammes-Schiffer, and X. Li, “Simultaneous optimization of nuclear-electronic orbitals,” J. Phys. Chem. A 126, 7033-7039 (2022). DOI: 10.1021/acs.jpca.2c05172
335. D. Konstantinovsky, E. A. Perets, T. Santiago, L. Velarde, S. Hammes-Schiffer, and E. C. Y. Yan, “Detecting first hydration shell structure around biomolecules at interfaces,” ACS Cent. Sci. 8, 1404-1414 (2022). DOI: 10.1021/acscentsci.2c00702
Biological System Molecular Dynamics Simulations
Nuclear Electronic Orbital (NEO) Method
Nuclear Electronic Orbital (NEO) Method
NEO Method; Tunneling
Sharon Hammes-Schiffer
Professor of Chemistry
Department of Chemistry
Frick Chemistry Laboratory
Princeton University
Princeton, New Jersey 08544
e-mail: shs566@princeton.edu