Spin-State Splittings in 3d Transition-Metal Complexes Revisited: Benchmarking Approximate Methods for Adiabatic Spin-State Energy Differences in Fe(II) Complexes-Reference-Cited by-同舟云学术

Spin-State Splittings in 3d Transition-Metal Complexes Revisited: Benchmarking Approximate Methods for Adiabatic Spin-State Energy Differences in Fe(II) Complexes

Published:2022-11-23 Issue:12 Volume:18 Page:7442-7456
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Reimann Marc¹^ORCID,Kaupp Martin¹^ORCID

Affiliation:

1. Technische Universität Berlin, Institut für Chemie, Theoretische Chemie/Quantenchemie, Sekr. C7, Straße des 17. Juni 135, D-10623 Berlin, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00924

Reference173 articles.

1. Two-State Reactivity in Organometallic Gas-Phase Ion Chemistry

2. Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges

3. Spin-Transition Polymers: From Molecular Materials Toward Memory Devices

4. Spin-Crossover Materials

5. Emerging trends in spin crossover (SCO) based functional materials and devices

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