Spin Propensities of Octahedral Complexes From Density Functional Theory
Author:
Affiliation:
1. DTU Chemistry, Technical University of Denmark, Building 206, Anker Engelunds Vej 1, 2800 Kongens Lyngby, Denmark
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b01626
Reference64 articles.
1. Spin-state/stereochemical relationships in iron porphyrins: implications for the hemoproteins
2. How O2 Binds to Heme
3. Understanding the reactivity of transition metal complexes involving multiple spin states
4. Ultrafast Infrared Studies of the Role of Spin States in Organometallic Reaction Dynamics
5. Spin Crossover—An Overall Perspective
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