Reference Vertical Excitation Energies for Transition Metal Compounds-Reference-Cited by-同舟云学术

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Reference Vertical Excitation Energies for Transition Metal Compounds

Published:2023-11-15 Issue:23 Volume:19 Page:8782-8800
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jacquemin Denis¹²^ORCID,Kossoski Fábris³^ORCID,Gam Franck¹,Boggio-Pasqua Martial³^ORCID,Loos Pierre-François³^ORCID

Affiliation:

1. Nantes Université, CNRS, CEISAM UMR 6230, F-44000 Nantes, France

2. Institut Universitaire de France (IUF), F-75005 Paris, France

3. Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, F-31062 Toulouse, France

Funder

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01080

Reference228 articles.

1. TRANSITION METAL COMPOUNDS

2. The O2-Evolving Complex of Photosystem II: Recent Insights from Quantum Mechanics/Molecular Mechanics (QM/MM), Extended X-ray Absorption Fine Structure (EXAFS), and Femtosecond X-ray Crystallography Data

3. Magneto-optical effects in transition metal systems

4. Magneto-electric Aharonov–Bohm effect in metal rings

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1. Small Representative Databases for Testing and Validating Density Functionals and Other Electronic Structure Methods;The Journal of Physical Chemistry A;2024-07-24

2. Reference Energies for Double Excitations: Improvement and Extension;Journal of Chemical Theory and Computation;2024-06-17

3. Using a multistate mapping approach to surface hopping to predict the ultrafast electron diffraction signal of gas-phase cyclobutanone;The Journal of Chemical Physics;2024-05-28

4. Reference Energies for Valence Ionizations and Satellite Transitions;Journal of Chemical Theory and Computation;2024-05-22

5. A mountaineering strategy to excited states: Accurate vertical transition energies and benchmarks for substituted benzenes;Journal of Computational Chemistry;2024-04-25

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