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  • Currently displaying 661 - 680 of 709 publications
Author(s)
Publication title
Journal Name
Publication year
STRUCTURE AND ENERGETICS OF MODEL METAL-CLUSTERS
J Uppenbrink, DJ Wales
J. Chem. Phys.
(1992)
96
SPECTROSCOPIC SIGNATURE OF FRACTAL EXCITONS
DJ Wales, GE Ewing
\jcsft
(1992)
88
Limitations of the Murrell–Laidler theorem
DJ Wales, RS Berry
J. Chem. Soc., Faraday Trans.
(1992)
88
STRUCTURES AND REARRANGEMENTS OF MODEL SILICON CLUSTERS
DJ Wales, MC Waterworth
\jcsft
(1992)
88
SIMULATED TRANSMISSION ELECTRON-MICROSCOPE IMAGES AND CHARACTERIZATION OF CONCENTRIC SHELL AND ICOSPIRAL GRAPHITIC MICROPARTICLES
KG Mckay, HW Kroto, DJ Wales
\jcsft
(1992)
88
SYSTEMATIC INVESTIGATION OF THE STRUCTURES AND REARRANGEMENTS OF 6- ATOM CLUSTERS BOUND BY A MODEL ANISOTROPIC POTENTIAL
JPK Doye, DJ Wales
\jcsft
(1992)
88
LIMITATIONS OF THE MURRELL-LAIDLER THEOREM
DJ Wales, RS Berry
\jcsft
(1992)
88
SOME FURTHER RESTRICTIONS ON THE GEOMETRIES OF TRANSITION-STATES
DJ Wales, AM Lee
Chem. Phys. Lett.
(1992)
198
STRUCTURE AND ENERGETICS OF MODEL SYMMETRICAL AND ASYMMETRIC DECAHEDRA
J Uppenbrink, DJ Wales, AI Kirkland, DA Jefferson, J Urban
Phil. Mag. B
(1992)
65
WHEN DO GRADIENT OPTIMIZATIONS CONVERGE TO SADDLE- POINTS
J Uppenbrink, DJ Wales
Chem. Phys. Lett.
(1992)
190
Instantaneous normal mode analysis and coexistence phenomena in small clusters
DJ Wales
Journal of the Chemical Society, Faraday Transactions
(1991)
87
Calculating the rate of loss of information from chaotic time series by forecasting
DJ Wales
Nature
(1991)
350
Packing schemes for Lennard-Jones clusters of 13 to 150 atoms: minima, transition states and rearrangement mechanisms
J Uppenbrink, DJ Wales
Physical Chemistry Chemical Physics
(1991)
87
Stable configurations of confined cold ionic systems
R Rafac, JP Schiffer, JS Hangst, DH Dubin, DJ Wales
Proceedings of the National Academy of Sciences of the United States of America
(1991)
88
Theoretical study of some small van der Waals complexes containing inert gas atoms
DJ Wales
Molecular Physics
(1991)
74
LOCAL INTERPRETATION OF CHAOTIC DYNAMICS IN A MANY-BODY CLASSICAL HAMILTONIAN SYSTEM
DJ Wales, RS Berry
J. Phys. B
(1991)
24
Qualitative models for the NMR chemical shifts of interstitial atoms in clusters
MJ Duer, DJ Wales
Polyhedron
(1991)
10
INSTANTANEOUS NORMAL MODE ANALYSIS AND COEXISTENCE PHENOMENA IN SMALL CLUSTERS
DJ Wales
\jcsft
(1991)
87
THEORETICAL-STUDY OF SOME SMALL VANDERWAALS COMPLEXES CONTAINING INERT-GAS ATOMS
DJ Wales
\molphys
(1991)
74
SKELETAL REARRANGEMENTS IN CLUSTERS - SOME NEW THEORETICAL INSIGHTS INVOLVING LIPSCOMB DIAMOND-SQUARE-DIAMOND MECHANISM
DMP MINGOS, DJ WALES
ELECTRON DEFICIENT BORON AND CARBON CLUSTERS
(1991)

Click on an image to view animations from Energy Landscapes of Model Knotted Polymers, Journal of Chemical Theory and Computation, Tongfan Hao, Yinghao Ge, Mark A. Miller, Agustin L. N. Francesco, David J. Wales, DOI 10.1021/acs.jctc.5c01005

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