Molecular dynamics study of the effects of ions on water microclusters
CL Briant, JJ Burton - The Journal of Chemical Physics, 1976 - pubs.aip.org
… We report a molecular dynamics study of water ion microclusters. … water-ion microclusters
as a function of the number of water molecules in the microcluster for positive and negative ions…
as a function of the number of water molecules in the microcluster for positive and negative ions…
Structures and energetics of monovalent ion–water microclusters. II. Thermal phenomena
S Lin, PC Jordan - The Journal of chemical physics, 1988 - pubs.aip.org
… the larger microclusters; the largest ions have the fewest water … contain only three and four
water molecules, respectively. The … demonstrated the importance of many body effects by carry…
water molecules, respectively. The … demonstrated the importance of many body effects by carry…
A molecular dynamics study of water microclusters surrounding a phosphate ion
WK Lee, EW Prohofsky - The Journal of Chemical Physics, 1981 - pubs.aip.org
… effect of a point charge in a bulk dielectric. Their method gave no information about the structure
of the ion-water microcluster… to study the hydrated atomic ions at zero temperature. They …
of the ion-water microcluster… to study the hydrated atomic ions at zero temperature. They …
[图书][B] What are Microclusters?
S Sugano, H Koizumi, S Sugano, H Koizumi - 1998 - Springer
… of size N into N valence electrons and N ion cores, the valence electrons have the shell struc…
dary conditions or surface effects has also been revealed for non-metallic microclusters. For …
dary conditions or surface effects has also been revealed for non-metallic microclusters. For …
A mechanism of the ion separation of the NaCl microcrystal via the association of water clusters
S Yamabe, H Kouno, K Matsumura - The Journal of Physical …, 2000 - ACS Publications
… and ion separation process of NaCl microclusters has … water molecules pull out sodium
and chloride ions from the crystal surface. First, a Na−Cl diatomic molecule surrounded by water …
and chloride ions from the crystal surface. First, a Na−Cl diatomic molecule surrounded by water …
Molecular dynamics study of water microclusters
CL Briant, JJ Burton - The Journal of Chemical Physics, 1975 - pubs.aip.org
… to water microclusters, and Briant and Burton26 have done molecular dynamics calculations
on water microclusters containing ions… and the spatial extent of the orienting effect of the ion. …
on water microclusters containing ions… and the spatial extent of the orienting effect of the ion. …
Structures and energetics of monovalent ion–water microclusters
SS Sung, PC Jordan - The Journal of chemical physics, 1986 - pubs.aip.org
… microclusters, including the effect of the temperature, studied by Monte Carlo simulations,
and many body effects, … of Na + (H20) n microclusters better than a number of other methods. …
and many body effects, … of Na + (H20) n microclusters better than a number of other methods. …
Cluster solutions
A Stace - Science, 2001 - science.org
… first six water molecules to attach to a sodium ion in the gas phase. For singly charged ions
such … anions and one that has a profound effect on photoelectron spectra is the presence of a …
such … anions and one that has a profound effect on photoelectron spectra is the presence of a …
Isotopic Preferential Solvation of I– in Low-Temperature Water Nanoclusters
… model for the present purpose of exploring isotope effects on ion solvation, we computed
the solute–oxygen radial distribution function for bulk water at ambient conditions. The profile (…
the solute–oxygen radial distribution function for bulk water at ambient conditions. The profile (…
Energy‐structure relationships for microscopic solvation of anions in water clusters
JE Combariza, NR Kestner, J Jortner - The Journal of chemical physics, 1994 - pubs.aip.org
… water ion potential fit not only to global ab initio data but also to some detailed properties of
the ionwater … effects on anion solvation in water clusters, addressing the following issues: …
the ionwater … effects on anion solvation in water clusters, addressing the following issues: …
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