Reliable Isotropic Electron-Paramagnetic-Resonance Hyperfine Coupling Constants from the Frozen-Density Embedding Quasi-Diabatization Approach-Reference-Cited by-同舟云学术

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Reliable Isotropic Electron-Paramagnetic-Resonance Hyperfine Coupling Constants from the Frozen-Density Embedding Quasi-Diabatization Approach

Published:2022-10-26 Issue:44 Volume:126 Page:8358-8368
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Eschenbach Patrick¹,Artiukhin Denis G.²,Neugebauer Johannes¹^ORCID

Affiliation:

1. Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Simulation, Westfälische Wilhelms-Universität Münster, Corrensstraße 36, 48149 Münster, Germany

2. Institut für Chemie und Biochemie, Freie Universität Berlin, Arnimallee 22, 14195 Berlin, Germany

Funder

Deutsche Forschungsgemeinschaft

Freie Universit?t Berlin

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c04959

Reference105 articles.

1. Use of EPR Spectroscopy in Elucidating Electronic Structures of Paramagnetic Transition Metal Complexes

2. EPR Studies of Free Radicals in Photosynthetic Systems

3. ADVANCED EPR SPECTROSCOPY ON ELECTRON TRANSFER PROCESSES IN PHOTOSYNTHESIS AND BIOMIMETIC MODEL SYSTEMS

4. PULSED EPR SPECTROSCOPY: Biological Applications

5. Pulsed Dipolar EPR Spectroscopy and Metal Ions: Methodology and Biological Applications

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1. Subsystem density‐functional theory (update);WIREs Computational Molecular Science;2024-01

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