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  • Currently displaying 541 - 560 of 704 publications
Author(s)
Publication title
Journal Name
Publication year
Influence of the atom-atom interaction anisotropy on the structure and stability of ArnCl2 clusters
FY Naumkin, DJ Wales
Chem. Phys. Lett.
(1998)
290
Dynamics and Rearrangements of Water Cluster
DJ Wales
(1998)
3
Thermodynamics of global optimization
JPK Doye, DJ Wales
\prl
(1998)
80
Infrared spectra of argon clusters
A Dullweber, DJ Wales
\molphys
(1998)
94
Structure and properties of Ne-n(+) clusters from a diatomics-in- molecules approach
FY Naumkin, DJ Wales
\molphys
(1998)
93
Small Water Clusters
DJ Wales
(1998)
Relaxation dynamics of C-60
TR Walsh, DJ Wales
J. Chem. Phys.
(1998)
109
Thermodynamics and the Global Optimization of Lennard-Jones Clusters
JPK Doye, DJ Wales, MA Miller
J. Chem. Phys.
(1998)
109
Global minima for transition metal clusters described by Sutton-Chen potentials
JPK Doye, DJ Wales
New J. Chem.
(1998)
22
Structural consequences of the range of the interatomic potential A menagerie of clusters
JPK Doye, DJ Wales
Journal of the Chemical Society, Faraday Transactions
(1997)
93
Isomerization dynamics and ergodicity in Ar7
MA Miller, DJ Wales
The Journal of Chemical Physics
(1997)
107
Reactions of size-selected positively charged nickel clusters with carbon monoxide in molecular beams
Š Vajda, S Wolf, T Leisner, U Busolt, LH Wöste, DJ Wales
The Journal of Chemical Physics
(1997)
107
Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms
DJ Wales, JPK Doye
Journal of Physical Chemistry A
(1997)
101
Effects of three-body (Axilrod-Teller) forces on the classical and quantum behavior of rare-gas trimers
C Chakravarty, RJ Hinde, DM Leitner, DJ Wales
Physical Review E Statistical Physics Plasmas Fluids and Related Interdisciplinary Topics
(1997)
56
Structural predictions for (C60)N clusters with an all-atom potential
JPK Doye, A Dullweber, DJ Wales
Chemical Physics Letters
(1997)
269
Theoretical study of the water tetramer
DJ Wales, TR Walsh
The Journal of Chemical Physics
(1997)
106
Comment on “Relaxation of collective excitations in LJ-13 cluster” [J. Chem. Phys. 105, 3679 (1996)]
DJ Wales, JPK Doye
The Journal of Chemical Physics
(1997)
106
Comparison of reaction pathways calculated by different algorithms for disilane and water trimer
TR Walsh, DJ Wales
Zeitschrift für Physik D Atoms, Molecules and Clusters
(1997)
40
Thermally-induced surface reconstructions of Mackay icosahedra
JPK Doye, DJ Wales
Zeitschrift für Physik D Atoms Molecules and Clusters
(1997)
40
Surveying a potential energy surface by eigenvector-following: Applications to global optimisation and the structural transformations of clusters
JPK Doye, DJ Wales
Zeitschrift für Physik D Atoms, Molecules and Clusters
(1997)
40

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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