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Journal of the American Chemical Society|November 2, 2018
Theoretical Study of C-H Bond Cleavage via Concerted Proton-Coupled Electron Transfer in Fluorenyl-BenzoatesElvira R Sayfutyarova, Zachary K Goldsmith, Sharon Hammes-SchifferThe Journal of Physical Chemistry. B|December 20, 2018
Electron-Coupled Double Proton Transfer in the Slr1694 BLUF Photoreceptor: A Multireference Electronic Structure StudyElvira R Sayfutyarova, Joshua J Goings, Sharon Hammes-SchifferThe Journal of Physical Chemistry Letters|March 7, 2022
Using Hyperoptimized Tensor Networks and First-Principles Electronic Structure to Simulate the Experimental Properties of the Giant {Mn84} TorusDian-Teng Chen, Phillip Helms, Ashlyn R Hale, et al.Journal of the American Chemical Society|April 15, 2021
Glutamate Mediates Proton-Coupled Electron Transfer Between Tyrosines 730 and 731 in Escherichia coli Ribonucleotide ReductaseClorice R Reinhardt, Elvira R Sayfutyarova, Jiayun Zhong, et al.Science (New York, N.Y.)|December 2, 2017
Stripe order in the underdoped region of the two-dimensional Hubbard modelBo-Xiao Zheng, Chia-Min Chung, Philippe Corboz, et al.Journal of Chemical Theory and Computation|July 14, 2026
Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning PotentialsAlice E A Allen, Rui Li, Sakib Matin, et al.Nature Communications|February 21, 2025
Ab initio quantum many-body description of superconducting trends in the cupratesZhi-Hao Cui, Junjie Yang, Johannes Tölle, et al.The Journal of Chemical Physics|December 18, 2023
Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyondHuanchen Zhai, Henrik R Larsson, Seunghoon Lee, et al.The Journal of Organic Chemistry|February 3, 2022
Structural and Thermodynamic Effects on the Kinetics of C-H Oxidation by Multisite Proton-Coupled Electron Transfer in Fluorenyl BenzoatesBrian Koronkiewicz, Elvira R Sayfutyarova, Scott C Coste, et al.Journal of the American Chemical Society|November 18, 2025
Experimental Evidence for Radical-Polar Crossover in Competition with, Rather Than Preceding, Alkene Formation by Microbial Ethylene-Forming EnzymeEvan J Burke, Chao Wang, Holly Lussier, et al.Pageof 15