DOI: 10.1063/1.460534. Calculations of the binding energies and structures of sodium chloride clusters and cluster ions

Calculations of the binding energies and structures of sodium chloride clusters and cluster ions

10.1063/1.460534

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We have calculated the geometries and binding energies for the most tightly bound isomers of (NaCl)n, n=2 to 15, and (NaCl)nNa+ and (NaCl)nCl−, n=2 to 14. In this paper, we discuss the methods used to obtain these geometries and binding energies and compare our results with experimental observations and previous calculations. We have also determined the energies required to remove NaCl molecules adiabatically from clusters and have calculated relative decay rates for evaporative dissociation at various temperatures.

Bibliography

Phillips, N. G., Conover, C. W. S., & Bloomfield, L. A. (1991). Calculations of the binding energies and structures of sodium chloride clusters and cluster ions. The Journal of Chemical Physics, 94(7), 4980â4987.

Authors 3

N. G. Phillips (first)
C. W. S. Conover (additional)
L. A. Bloomfield (additional)

References 18 Referenced 104

10.1103/PhysRevLett.47.1046 / Phys. Rev. Lett. (1981)
10.1016/0039-6028(85)90570-9 / Surf. Sci. (1985)
10.1103/PhysRevB.42.5306 / Phys. Rev. B (1990)
10.1063/1.432231 / J. Chem. Phys. (1976)
10.1063/1.436801 / J. Chem. Phys. (1978)
{'key': '2024021011065162200_r6', 'first-page': '176', 'volume': '95', 'year': '1983', 'journal-title': 'Phys. Rep.'} / Phys. Rep. (1983)
{'key': '2024021011065162200_r7', 'first-page': '243', 'volume': '156', 'year': '1985', 'journal-title': 'Surf. Sci.'} / Surf. Sci. (1985)
10.1063/1.449029 / J. Chem. Phys. (1985)
10.1016/0009-2614(87)87091-4 / Chem. Phys. Lett. (1987)
{'key': '2024021011065162200_r10'}
{'key': '2024021011065162200_r11'}
{'key': '2024021011065162200_r12'}
10.1063/1.1748448 / J. Chem. Phys. (1951)
{'key': '2024021011065162200_r14', 'first-page': '90', 'volume': '122', 'year': '1958', 'journal-title': 'Phys. Rev.'} / Phys. Rev. (1958)
{'key': '2024021011065162200_r15'}
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{'key': '2024021011065162200_r17', 'first-page': '75', 'volume': '90', 'year': '1988', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1988)
10.1103/PhysRevLett.65.1567 / Phys. Rev. Lett. (1990)

Dates

Type	When
Created	23 years ago (July 26, 2002, 8:29 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 7:50 a.m.)
Indexed	3 months ago (May 21, 2025, 5:09 p.m.)
Issued	34 years, 4 months ago (April 1, 1991)
Published	34 years, 4 months ago (April 1, 1991)
Published Print	34 years, 4 months ago (April 1, 1991)

Funders 0

None

BibTeX

@article{Phillips_1991, title={Calculations of the binding energies and structures of sodium chloride clusters and cluster ions}, volume={94}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.460534}, DOI={10.1063/1.460534}, number={7}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Phillips, N. G. and Conover, C. W. S. and Bloomfield, L. A.}, year={1991}, month=apr, pages={4980–4987} }

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