Lone-pair–π interactions: analysis of the physical origin and biological implications
Author:
Affiliation:
1. CEITEC – Central European Institute of Technology
2. Masaryk University
3. CZ-625 00 Brno
4. Czech Republic
5. Department of Condensed Matter Physics
6. National Center for Biomolecular Research
7. Faculty of Science
8. CZ-611 37 Brno
Abstract
Lone-pair–π (lp–π) interactions can differ in strength and origin. Water–indole, water–uracil, and chloride–TCB lp–π interactions have very different electrostatic (ES), polarization (POL), charge transfer (CT), and dispersion (DISP) components.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP01524G
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