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Issue 5, 2015
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Electronic delocalization in small water rings

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Abstract

Water clusters are known to form through hydrogen bonding. However, this study shows that the formation of small water clusters such as (H2O)n with n = 3 or 4 involves strong electron delocalization. Our first-principles calculations reveal that the electron delocalization originates from both the H and O atomic orbitals and extends to the ring center, enriching the bonding characteristics of water clusters.

Graphical abstract: Electronic delocalization in small water rings

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Publication details

The article was received on 05 Nov 2014, accepted on 01 Dec 2014 and first published on 01 Dec 2014


Article type: Communication
DOI: 10.1039/C4CP05129G
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Phys. Chem. Chem. Phys., 2015,17, 2987-2990

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    Electronic delocalization in small water rings

    B. Wang, M. Xin, X. Dai, R. Song, Y. Meng, J. Han, W. Jiang, Z. Wang and R. Zhang, Phys. Chem. Chem. Phys., 2015, 17, 2987
    DOI: 10.1039/C4CP05129G

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