Trends in the Bond Multiplicity of Cr2, Cr3, and Cr2M (M = Zn, Ni, Fe, Mn) Complexes Extracted from Multiconfigurational Wave Functions
Author:
Affiliation:
1. Departament de Química Física i Inorgánica, Universitat Rovira i Virgili, Marcel·lí Domingo 1, 43007 Tarragona, Spain
2. ICREA, Passeig Lluís Companys 23, 08010 Barcelona, Spain
Funder
Ministerio de Ciencia e Innovaci?n
Ag?ncia de Gesti? d?Ajuts Universitaris i de Recerca
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b10124
Reference68 articles.
1. Multiple Bonds Between Metal Atoms
2. Extraordinarily Large Ferromagnetic Coupling ( J ≥150 cm −1 ) by Electron Delocalization in a Heterometallic Mo≣Mo−Ni Chain Complex
3. Multiconfigurational perturbation theory with level shift — the Cr2 potential revisited
4. Databases for Transition Element Bonding: Metal−Metal Bond Energies and Bond Lengths and Their Use To Test Hybrid, Hybrid Meta, and Meta Density Functionals and Generalized Gradient Approximations
5. Modified Generalized Valence-Bond Method: A Simple Correction for the Electron Correlation Missing in Generalized Valence-Bond Wave Functions; Prediction of Double-Well States forCr2andMo2
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