Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties-Reference-Cited by-同舟云学术

Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties

Published:2023-12-12 Issue: Volume: Page:
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Prampolini Giacomo¹^ORCID,Andersen Amity²^ORCID,Poulter Benjamin I.³^ORCID,Khalil Munira³^ORCID,Govind Niranjan³⁴^ORCID,Biasin Elisa⁴,Pastore Mariachiara⁵^ORCID

Affiliation:

1. Area della Ricerca, Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), Via G. Moruzzi 1, Pisa I-56124, Italy

2. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory Richland, Richland, Washington 99354, United States

3. Department of Chemistry, University of Washington Seattle, Seattle, Washington 98195, United States

4. Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory Richland, Richland, Washington 99352, United States

5. Laboratoire de Physique et Chimie Théoriques (LPCT), CNRS & Université de Lorraine, Nancy 54000, France

Funder

European Commission

Basic Energy Sciences

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01084

Reference151 articles.

1. Current trends and future challenges in the experimental, theoretical and computational analysis of intervalence charge transfer (IVCT) transitions

2. Intervalence Charge Transfer (IVCT) in Trinuclear and Tetranuclear Complexes of Iron, Ruthenium, and Osmium

3. Contemporary Issues in Electron Transfer Research

4. Luminescent and Redox-Active Polynuclear Transition Metal Complexes

5. Electronic coupling between remote metal centers in cyanobridged polynuclear complexes

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