E-LIB Suche - Ergebnisse für: Hammes-Schiffer, Sharon

1

Squeezed Protons and Infrared Plasmonic Resonance Energy Tr..:

Li, Tao E. ; Paenurk, Eno ; Hammes-Schiffer, Sharon
The Journal of Physical Chemistry Letters. 15 (2024) 3 - p. 751-757 , 2024

Link: https://doi.org/10.1021/..

2

Probing Nonadiabaticity of Proton-Coupled Electron Transfer..:

Zhong, Jiayun ; Soudackov, Alexander V. ; Hammes-Schiffer, Sharon
The Journal of Physical Chemistry Letters. 15 (2024) 6 - p. 1686-1693 , 2024

Link: https://doi.org/10.1021/..

3

Nuclear–Electronic Orbital Time-Dependent Configuration Int..:

Garner, Scott M. ; Upadhyay, Shiv ; Li, Xiaosong.
The Journal of Physical Chemistry Letters. 15 (2024) 23 - p. 6017-6023 , 2024

Link: https://doi.org/10.1021/..

4

Direct Evidence for a Sequential Electron Transfer–Proton T..:

Kessinger, Matthew C. ; Xu, Jeremiah ; Cui, Kai...
Journal of the American Chemical Society. 146 (2024) 3 - p. 1742-1747 , 2024

Link: https://doi.org/10.1021/..

5

Switching the proton-coupled electron transfer mechanism fo..:

Nilsen-Moe, Astrid ; Reinhardt, Clorice R. ; Huang, Ping...
Chemical Science. 15 (2024) 11 - p. 3957-3970 , 2024

Link: https://doi.org/10.1039/..

6

Interfacial Proton-Coupled Electron Transfer via Localized ..:

Warburton, Robert E. ; Soudackov, Alexander V. ; Hammes-Schiffer, Sharon
The Journal of Physical Chemistry C. 128 (2024) 19 - p. 7903-7912 , 2024

Link: https://doi.org/10.1021/..

7

A Many-Body Perspective of Nuclear Quantum Effects in Aqueo..:

Lambros, Eleftherios ; Fetherolf, Jonathan H. ; Hammes-Schiffer, Sharon.
The Journal of Physical Chemistry Letters. 15 (2024) 15 - p. 4070-4075 , 2024

Link: https://doi.org/10.1021/..

8

Theoretical basis for interpreting heterodyne chirality-sel..:

Konstantinovsky, Daniel ; Santiago, Ty ; Tremblay, Matthew...
The Journal of Chemical Physics. 160 (2024) 5 - p. , 2024

Link: https://doi.org/10.1063/..

9

Hydrogen on Colloidal Gold Nanoparticles:

Gentry, Noreen E. ; Kurimoto, Aiko ; Cui, Kai...
Journal of the American Chemical Society. 146 (2024) 21 - p. 14505-14520 , 2024

Link: https://doi.org/10.1021/..

10

Roadmap on methods and software for electronic structure ba..:

Blum, Volker ; Asahi, Ryoji ; Autschbach, Jochen...
Electronic Structure. , 2024

Link: https://doi.org/10.1088/..

11

Long-range electrostatic effects from intramolecular Lewis ..:

Alvarez-Hernandez, Jose L. ; Zhang, Xiaowei ; Cui, Kai...
Chemical Science. 15 (2024) 18 - p. 6800-6815 , 2024

Link: https://doi.org/10.1039/..

12

Nuclear-Electronic Orbital Quantum Dynamics of Plasmon-Driv..:

Li, Tao E. ; Hammes-Schiffer, Sharon
Journal of the American Chemical Society. 145 (2023) 33 - p. 18210-18214 , 2023

Link: https://doi.org/10.1021/..

13

Electronic Born–Oppenheimer approximation in nuclear-electr..:

Li, Tao E. ; Hammes-Schiffer, Sharon
The Journal of Chemical Physics. 158 (2023) 11 - p. , 2023

Link: https://doi.org/10.1063/..

14

Multicomponent Cholesky Decomposition: Application to Nucle..:

Liu, Aodong ; Zhang, Tianyuan ; Hammes-Schiffer, Sharon.
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

15

Exploring proton-coupled electron transfer at multiple scal..:

Hammes-Schiffer, Sharon
Nature Computational Science. , 2023

Link: https://doi.org/10.1038/..