Hierarchy of the Collective Effects in Water Clusters

Hierarchy of the Collective Effects in Water Clusters

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 o...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2016-02, Vol.120 (4), p.631-638
Hauptverfasser: Bakó, Imre, Mayer, István
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container_title The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
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creator Bakó, Imre
Mayer, István
description 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.
doi_str_mv 10.1021/acs.jpca.5b10053
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title Hierarchy of the Collective Effects in Water Clusters
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