Erratum: Water molecule interactions

Hankins, D.E.; Moskowitz, Jules W.; Stillinger, Frank H.

doi:10.1063/1.1680140

Cited by 40 publications

(6 citation statements)

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“…The set of these other minima include "double donor" and "double acceptor", trimers, both of which also involve two hydrogen bonds, and which are conventionally named according to the role of the central water molecule that participates in both bonds. 25 Although they differ in some minor geometriC details from those considered here, the sequential, double donor, and double acceptor trimers of nearest neighbors exist in ice in 4: 1 : 1 ratiO.…”

Section: Water Polymersmentioning

confidence: 55%

Polarization model for water and its ionic dissociation products

Stillinger¹,

David²

1978

The Journal of Chemical Physics

386

181

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In order to achieve a simple description of aggregates of deformable water molecules, a new model has been constructed which treats H+ and ()2-particles as the basic dynamical and structural elements. The H+ units are bare protons, while the ()2-units possess a form of noniocaJ poIarizability consistent with their electronic structure. The model yields water molecules which have the correct geometry and dipole moment, and which engage in hydrogen bonding to one another. Minimum-energy structures have been detennined for the water dimer and trimer and for small hydrate clusters of H+ and OH-; comparison with relevant experiments and quantum-mechanical calculations is satisfactory.

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Section: Water Polymersmentioning

confidence: 55%

Polarization model for water and its ionic dissociation products

Stillinger¹,

David²

1978

The Journal of Chemical Physics

386

181

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“…[41][42][43][44] Starting from Chair, every additional H bond generates a DDA-and a DAA-type monomer from two DA monomers, introducing at least two additional repulsive three-body interactions. McDonald et al investigated correlations of binding energy with cluster topology in cubic and dodecahedral water clusters and found significant repulsive contributions associated with nearest-neighbor DDA or DAA molecule pairs.…”

Section: Ii) Decreases Of Nearest-neighbor 2-body Interactionsmentioning

confidence: 99%

Water hexamer clusters: Structures, energies, and predicted mid-infrared spectra

Losada¹,

Leutwyler²

2002

The Journal of Chemical Physics

103

101

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“…In addition, the overall potential energy has a significant component that is not of additive-pair origin, but is instead associated with close groupings of three, four, ..., mole cules. The result of these additional interactions is overall increase in binding energy of the networks, and reduction in hydrogen-bond length (Hankins et al 1970(Hankins et al , 1973.…”

Section: Ntermolecular Forcesmentioning

confidence: 99%

Theoretical approaches to the intermolecular nature of water

1977

Phil. Trans. R. Soc. Lond. B

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A brief review is presented of recent advances in theoretical understanding of liquid water. These advances include detailed quantitative specification of water-molecule interaction potentials, and development of several techniques in statistical mechanics for predicting molecular order in the liquid. Specifically, computer simulation now plays a particularly important rôle. A labile, defective, random network picture for the liquid is the only consistently supported possibility. Implications of this picture for an explanation of hydrophobic solvation and bonding are mentioned. Furthermore, the apparent cooperative restructuring of the random network near the supercolling limit suggests that a dielectric anomaly might exist in this régime. Several areas for future development of water theory are suggested, bearing specifically on phenomena of biological interest.

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Erratum: Water molecule interactions

Cited by 40 publications

References 0 publications

Polarization model for water and its ionic dissociation products

Polarization model for water and its ionic dissociation products

Water hexamer clusters: Structures, energies, and predicted mid-infrared spectra

Theoretical approaches to the intermolecular nature of water

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