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Nicholas F. Chilton, Russell P. Anderson, Lincoln D. Turner, Alessandro Soncini and Keith S. Murray PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d- and f-block complexes Journal of Computational Chemistry 34

Article first published online: 5 FEB 2013 | DOI: 10.1002/jcc.23234

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A new and extensively parallelized code for the calculation of the magnetic properties of large spin systems or complex orbitally degenerate compounds is presented. The program can simulate theoretical systems or fit experimental data with a specific Hamiltonian. PHI is much faster than other commonly employed codes, and its use is very intuitive and approachable for novice users.

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