Improving the calculation of magnetic coupling constants in MRPT methods

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Magnetic Tweezers for the Measurement of Twist and Torque
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Magnetic Tweezers for the Measurement of Twist and Torque

Published on: May 19, 2014

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Mariano Spivak1, Celestino Angeli, Carmen J Calzado

  • 1Departament de Quimica Fisica i Inorgànica, Universitat Rovira i Virgili, Marcel, lí Domingo s/n, E-43007, Tarragona, Spain.

Journal of Computational Chemistry
|July 4, 2014
PubMed

Keywords:
NEVPT2difference dedicated configuration interactionmagnetic couplingmulticonfigurational perturbation theorytransition metal complexes

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