Sharon Hammes-Schiffer
Yale University
H-index: 84
North America-United States
Top articles of Sharon Hammes-Schiffer
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Probing Nonadiabaticity of Proton-Coupled Electron Transfer in Ribonucleotide Reductase | The Journal of Physical Chemistry Letters | Jiayun Zhong Alexander V Soudackov Sharon Hammes-Schiffer | 2024/2/5 |
Squeezed Protons and Infrared Plasmonic Resonance Energy Transfer | The Journal of Physical Chemistry Letters | Tao E Li Eno Paenurk Sharon Hammes-Schiffer | 2024/1/16 |
A Many-Body Perspective of Nuclear Quantum Effects in Aqueous Clusters | The Journal of Physical Chemistry Letters | Eleftherios Lambros Jonathan H Fetherolf Sharon Hammes-Schiffer Xiaosong Li | 2024/4/8 |
Direct Evidence for a Sequential Electron Transfer–Proton Transfer Mechanism in the PCET Reduction of a Metal Hydroxide Catalyst | Journal of the American Chemical Society | Matthew C Kessinger Jeremiah Xu Kai Cui Quentin Loague Alexander V Soudackov | 2024/1/9 |
Long-range electrostatic effects from intramolecular Lewis acid binding influence the redox properties of cobalt–porphyrin complexes | Chemical Science | Jose L Alvarez-Hernandez Xiaowei Zhang Kai Cui Anthony P Deziel Sharon Hammes-Schiffer | 2024 |
Impact of Hydrogen Bonding on Proton-Coupled Electron Transfer | Bulletin of the American Physical Society | Sharon Hammes-Schiffer | 2024/3/6 |
Switching the proton-coupled electron transfer mechanism for non-canonical tyrosine residues in a de novo protein | Chemical Science | Astrid Nilsen-Moe Clorice R Reinhardt Ping Huang Hemlata Agarwala Rosana Lopes | 2024 |
Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water | The Journal of Chemical Physics | Daniel Konstantinovsky Ty Santiago Matthew Tremblay Garth J Simpson Sharon Hammes-Schiffer | 2024/2/7 |
Simulating Nuclear Dynamics with Quantum Effects | arXiv preprint arXiv:2302.01408 | Sharon Hammes-Schiffer Nancy Makri Mariana Rossi | 2023/2/2 |
Electronic Born–Oppenheimer approximation in nuclear-electronic orbital dynamics | The Journal of Chemical Physics | Tao E Li Sharon Hammes-Schiffer | 2023/3/21 |
Computational Insights into the Mechanism of Nitric Oxide Generation from S-Nitrosoglutathione Catalyzed by a Copper Metal–Organic Framework | Journal of the American Chemical Society | Benjamin JG Rousseau Alexander V Soudackov Robert R Tuttle Melissa M Reynolds Richard G Finke | 2023/5/1 |
General Kinetic Model for pH Dependence of Proton-Coupled Electron Transfer: Application to an Electrochemical Water Oxidation System | Journal of the American Chemical Society | Kai Cui Alexander V Soudackov Matthew C Kessinger Jeremiah Xu Gerald J Meyer | 2023/8/23 |
Generalized Nuclear-Electronic Orbital Multistate Density Functional Theory for Multiple Proton Transfer Processes | The Journal of Physical Chemistry Letters | Joseph A Dickinson Qi Yu Sharon Hammes-Schiffer | 2023/6/28 |
First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems | Physical Review Letters | Jianhang Xu Ruiyi Zhou Volker Blum Tao E Li Sharon Hammes-Schiffer | 2023/12/7 |
Inverse kinetic isotope effects in the oxygen reduction reaction at platinum single crystals | Nature Chemistry | Yao Yang Rishi G Agarwal Phillips Hutchison Rubén Rizo Alexander V Soudackov | 2023/2 |
Design of an electrostatic frequency map for the NH stretch of the protein backbone and application to chiral sum frequency generation spectroscopy | The Journal of Physical Chemistry B | Daniel Konstantinovsky Ethan A Perets Ty Santiago Kristian Olesen Zhijie Wang | 2023/3/14 |
Synthesis and Surface Attachment of Molecular Re (I) Hydride Species with Silatrane Functionalized Bipyridyl Ligands | Inorganic Chemistry | Xiaofan Jia Hannah S Nedzbala Samuel R Bottum James F Cahoon Javier J Concepcion | 2023/1/24 |
Concerted Proton-Coupled Electron Transfer to a Graphite Adsorbed Metalloporphyrin Occurs by Band to Bond Electron Redistribution | ACS Central Science | Phillips Hutchison Corey J Kaminsky Yogesh Surendranath Sharon Hammes-Schiffer | 2023/4/19 |
Nuclear–electronic orbital QM/MM approach: Geometry optimizations and molecular dynamics | Journal of Chemical Theory and Computation | Mathew Chow Eleftherios Lambros Xiaosong Li Sharon Hammes-Schiffer | 2023/6/17 |
Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear–Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics | The Journal of Physical Chemistry A | Eleftherios Lambros Benjamin Link Mathew Chow Filippo Lipparini Sharon Hammes-Schiffer | 2023/10/27 |
