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Diffusion Monte Carlo Perspective on the Spin-State Energetics of [Fe(NCH)6](2.)

Maria Fumanal1,2, Lucas K Wagner3, Stefano Sanvito4

  • 1Institut de Chimie UMR7177 CNRS-Université de Strasbourg , 1 Rue Blaise Pascal BP 296/R8, F-67007 Strasbourg, France.

Journal of Chemical Theory and Computation
|August 9, 2016
PubMed

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