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December 3, 2009Journal of Chemical Theory and Computation

Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal−Phthalocyanine Dimers

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NMNoa MaromCarnegie Mellon UniversityATAlexandre TkatchenkoUniversity of LuxembourgMSMatthias SchefflerUniversity of Geneva

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Marom et al. (2009) studied this question.

synapsesocial.com/papers/6a0dcce488250cfcc2a52a61https://doi.org/10.1021/ct900410j
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