Ab Initio Methods in First‐Row Transition Metal Chemistry
Author:
Affiliation:
1. Leibniz institute for Catalysis e. V. (LIKAT) Albert-Einstein-Str. 29 A 18059 Rostock Germany
2. Department of Chemistry Nagoya University Chikusa 464-8602 Nagoya Japan
Publisher
Wiley
Subject
Inorganic Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/ejic.202200014
Reference282 articles.
1. Direct Observation of Oxygen Rebound with an Iron-Hydroxide Complex
2. Two-State Reactivity as a New Concept in Organometallic Chemistry
3. Understanding the kinetics of spin-forbidden chemical reactions
4. Validation of Exchange−Correlation Functionals for Spin States of Iron Complexes
5. DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds
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