Structure, Dynamics, and Thermodynamics of Clusters: Tales from Topographic Potential Surfaces
10.1126/science.271.5251.925
Crossref journal-article
American Association for the Advancement of Science (AAAS)
Science (221)
Abstract

Theoretical studies of atomic and molecular clusters often seek to explain structure, dynamics, and thermodynamics in terms of the underlying potential energy surface and the form of the interparticle interaction. One specific example from each of these categories is considered here; the overall approach can be summarized as global analysis of potential surfaces. Changes in the most favorable cluster morphology can be qualitatively understood as a function of the range of the interparticle forces. Thermodynamic properties can be calculated from a representative sample of local minima on the potential energy surface. However, prediction of dynamics requires not only knowledge of minima but also transition states and reaction pathways.

Bibliography

Wales, D. J. (1996). Structure, Dynamics, and Thermodynamics of Clusters: Tales from Topographic Potential Surfaces. Science, 271(5251), 925–929.

Authors 1
  1. David J. Wales (first)
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Dates
Type When
Created 18 years, 9 months ago (Oct. 27, 2006, 2:30 p.m.)
Deposited 1 year, 7 months ago (Jan. 12, 2024, 4:08 p.m.)
Indexed 1 year ago (Aug. 1, 2024, 8:53 p.m.)
Issued 29 years, 6 months ago (Feb. 16, 1996)
Published 29 years, 6 months ago (Feb. 16, 1996)
Published Print 29 years, 6 months ago (Feb. 16, 1996)
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@article{Wales_1996, title={Structure, Dynamics, and Thermodynamics of Clusters: Tales from Topographic Potential Surfaces}, volume={271}, ISSN={1095-9203}, url={http://dx.doi.org/10.1126/science.271.5251.925}, DOI={10.1126/science.271.5251.925}, number={5251}, journal={Science}, publisher={American Association for the Advancement of Science (AAAS)}, author={Wales, David J.}, year={1996}, month=feb, pages={925–929} }