Hierarchy of the Collective Effects in Water Clusters
Authors:
- 20 January 2016
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 120 (4) , 631-638
Abstract
The results of dipole moment as well as of intra- and intermolecular bond order calculations indicate the big importance of collective electrostatic effects caused by the nonimmediate environment in liquid water models. It is also discussed how these collective effects are built up as consequences of the electrostatic and quantum chemical interactions in water clusters.Keywords
Funding Information
- Orsz?gos Tudom?nyos Kutat?si Alapprogramok (OTKA K108721)
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