Computational insights into the mechanism of nitric oxide generation from S-nitrosoglutathione catalyzed by a copper metal-organic framework,” J. Am. Chem. Soc.!
About Jiayun Zhong
This author has not written his bio yet.
But we are proud to say that Jiayun Zhong contributed 58 entries already.
Entries by Jiayun Zhong
Joe’s paper on Generalized nuclear-electronic orbital multistate density functional theory for multiple proton transfer processes is published at J. Phys. Chem. Lett. !
Mathew’s paper in collaboration with Li Group on Nuclear-electronic orbital QM/MM approach: Geometry optimizations and molecular dynamics is publised at J. Chem. Theory Comput. !
345. D. Konstantinovsky, E. A. Perets, T. Santiago, K. Olesen, Z. Wang, A. V. Soudackov, E. C. Y. Yan, S. Hammes-Schiffer, “Design of an electrostatic frequency map for the NH stretch of the protein backbone and application to chiral sum frequency generation spectroscopy,” J. Phys. Chem. B (in press). DOI: 10.1021/acs.jpcb.3c00217
344. J. Zhong, C. R. Reinhardt, and S. Hammes-Schiffer, “Direct proton-coupled electron transfer between interfacial tyrosines in ribonucleotide reductase,” J. Am. Chem. Soc.145, 4784-4790 (2023). DOI: 10.1021/jacs.2c13615
343. A. Mohamed, S. C. Edington, M. Secor, J. R. Breton, S. Hammes-Schiffer, and M. A. Johnson, “Spectroscopic characterization of the divalent metal docking motif to isolated cyanobenzoate: Direct observation of tridentate binding to ortho-cyanobenzoate and implications for the CN response,” J. Phys. Chem. A 127, 1413-1421 (2023). DOI: 10.1021/acs.jpca.2c07658
342. T. E. Li and S. Hammes-Schiffer, “QM/MM modeling of vibrational polariton induced energy transfer and chemical dynamics,” J. Am. Chem. Soc. 145, 377-384 (2023). DOI: 10.1021/jacs.2c10170
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
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