Hydrogen-bond strengths by magnetically induced currents

Literature Information

Publication Date 2010-11-12
DOI 10.1039/C0CP00622J
Impact Factor 3.676
Authors

Heike Fliegl, Olli Lehtonen, Dage Sundholm


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Abstract

We present here a “non-invasive” computational method to estimate the strength of individual hydrogen bonds using magnetically induced currents. The method is calibrated using H-bonding dimers, and applied on Watson–Crick DNA base pairs and proton wires in carbonic anhydrase.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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