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Issue 2, 2011
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Hydrogen-bond strengths by magnetically induced currents

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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.

Graphical abstract: Hydrogen-bond strengths by magnetically induced currents

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Article information


Submitted
19 May 2010
Accepted
13 Oct 2010
First published
12 Nov 2010

Phys. Chem. Chem. Phys., 2011,13, 434-437
Article type
Communication

Hydrogen-bond strengths by magnetically induced currents

H. Fliegl, O. Lehtonen, D. Sundholm and V. R. I. Kaila, Phys. Chem. Chem. Phys., 2011, 13, 434
DOI: 10.1039/C0CP00622J

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