Coupled-perturbed DFTB-QM/MM metadynamics: Application to proton-coupled electron transfer-Reference-Cited by-同舟云学术

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Coupled-perturbed DFTB-QM/MM metadynamics: Application to proton-coupled electron transfer

Published:2018-08-21 Issue:7 Volume:149 Page:072328
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Gillet Natacha¹,Elstner Marcus¹²,Kubař Tomáš¹³^ORCID

Affiliation:

1. Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe, Germany

2. Institute for Biological Interfaces (IBG-2), KIT, 76131 Karlsruhe, Germany

3. Center for Functional Nanostructures, KIT, 76131 Karlsruhe, Germany

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5027100

Reference72 articles.

1. PROTON-COUPLED ELECTRON TRANSFER: A Reaction Chemist's View

2. Proton-Coupled Electron Transfer

3. Proton-coupled electron transfer: classification scheme and guide to theoretical methods

4. Quantum Chemical Studies of Proton-Coupled Electron Transfer in Metalloenzymes

5. Biochemistry and Theory of Proton-Coupled Electron Transfer

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