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First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body Effects

Tkatchenko, Alexandre; Alfe, Dario; Kim, Kwang S.

2012 • In JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 8 (11), p. 4317-4322

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First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body Effects.pdf

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