Magnetic Coupling Constants in Three Electrons Three Centers Problems from Effective Hamiltonian Theory and Validation of Broken Symmetry-Based Approaches

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Authors: Daniel Reta, Ibério de P. R. Moreira, Francesc Illas

Journal title: Journal of Chemical Theory and Computation

Journal number: 12/7

Journal publisher: American Chemical Society

Published year: 2016

Published pages: 3228-3235

DOI identifier: 10.1021/acs.jctc.6b00413

ISSN: 1549-9618