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Issue 7, 2011
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Design of optimally switchable molecules by genetic algorithms

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Abstract

We demonstrate the possibility to design molecules for specific tasks, using a fully automatic global optimization setup employing genetic algorithms. As an example, we tune the two excitation wavelengths of a molecular switch backbone to arbitrarily pre-set values, by an automatic optimization of the substituent pattern.

Graphical abstract: Design of optimally switchable molecules by genetic algorithms

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Publication details

The article was received on 02 Jul 2010, accepted on 10 Nov 2010 and first published on 15 Dec 2010


Article type: Paper
DOI: 10.1039/C0CP01065K
Citation: Phys. Chem. Chem. Phys., 2011,13, 2903-2910
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    Design of optimally switchable molecules by genetic algorithms

    N. Ole Carstensen, J. M. Dieterich and B. Hartke, Phys. Chem. Chem. Phys., 2011, 13, 2903
    DOI: 10.1039/C0CP01065K

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