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Issue 9, 2013
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Analysis of supramolecular complex energetics in artificial replicators

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Abstract

The energetics of complex formation in a number of artificial self-replicating systems has been studied by density functional theory calculations. Complex stabilities were dissected into stabilizing contributions from hydrogen bonding, dispersion, electrostatics, and destabilizing distortions of monomers from their optimum geometries. Strong cooperative effects were identified in all systems, and dispersion and electrostatics contribute more to the overall energies of complex formation than hydrogen bonding in some systems.

Graphical abstract: Analysis of supramolecular complex energetics in artificial replicators

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Publication details

The article was received on 01 May 2013, accepted on 25 Jun 2013 and first published on 27 Jun 2013


Article type: Edge Article
DOI: 10.1039/C3SC51192H
Citation: Chem. Sci., 2013,4, 3591-3600
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    Analysis of supramolecular complex energetics in artificial replicators

    A. Dieckmann and K. N. Houk, Chem. Sci., 2013, 4, 3591
    DOI: 10.1039/C3SC51192H

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