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  • Currently displaying 581 - 600 of 709 publications
Author(s)
Publication title
Journal Name
Publication year
Rearrangements and Tunneling Splittings in Small Water Clusters
DJ Wales
RECENT THEORETICAL AND EXPERIMENTAL ADVANCES IN HYDROGEN BONDED CLUSTERS
(1997)
561
The structure of (C-60)(N) clusters
JPK Doye, DJ Wales
Chemical Physics Letters
(1996)
262
On potential energy surfaces and relaxation to the global minimum
JPK Doye, DJ Wales
The Journal of Chemical Physics
(1996)
105
Theoretical study of the water pentamer
DJ Wales, TR Walsh
The Journal of Chemical Physics
(1996)
105
Structure, rearrangements and evaporation of rotating atomic clusters
M MILLER, D WALES
Molecular Physics
(1996)
89
Theoretical study of rapid topomerization in tetracyclo[4.4.4.4]-1-bora-3,5-diazapentane
RM Minyaev, VI Minkin, DJ Wales
Chemical Physics Letters
(1996)
259
Rearrangements of the water trimer
TR Walsh, DJ Wales
Journal of the Chemical Society, Faraday Transactions
(1996)
92
What can calculations employing empirical potentials teach us about bare transition-metal clusters?
DJ Wales, LJ Munro, JPK Doye
Journal of the Chemical Society, Dalton Transactions
(1996)
From topographies to dynamics on multidimensional potential energy surfaces of atomic clusters
KD Ball, RS Berry, RE Kunz, F-Y Li, A Proykova, DJ Wales
Science
(1996)
271
Structure, Dynamics, and Thermodynamics of Clusters: Tales from Topographic Potential Surfaces
DJ Wales
Science
(1996)
271
Changes of morphology and capping of model transition metal clusters
DJ Wales, LJ Munro
\jpc
(1996)
100
The Structure and Stability of Atomic Liquids: From Clusters to Bulk
JPK Doye, DJ Wales
Science
(1996)
271
WHAT CAN CALCULATIONS EMPLOYING EMPIRICAL POTENTIALS TEACH US ABOUT BARE TRANSITION-METAL CLUSTERS
DJ Wales, LJ Munro, JPK Doye
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
(1996)
REARRANGEMENTS OF THE WATER TRIMER
TR Walsh, DJ Wales
Journal of the Chemical Society, Faraday Transactions
(1996)
92
THEORETICAL-STUDY OF THE WATER pentamer
DJ Wales, TR Walsh
J. Chem. Phys.
(1996)
105
STRUCTURE, DYNAMICS, AND THERMODYNAMICS OF CLUSTERS - TALES FROM TOPOGRAPHIC POTENTIAL SURFACES
DJ Wales
Science
(1996)
271
THEORETICAL-STUDY OF RAPID TOPOMERIZATION IN TETRACYCLO[4.4.4.4]-1- BORA-3,5-DIAZAPENTANE
RM Minyaev, VI Minkin, DJ Wales
Chem. Phys. Lett.
(1996)
259
THE STRUCTURE AND STABILITY OF ATOMIC LIQUIDS - FROM CLUSTERS TO BULK
JPK Doye, DJ Wales
Science
(1996)
271
ON POTENTIAL-ENERGY SURFACES AND RELAXATION TO THE GLOBAL MINIMUM
JPK Doye, DJ Wales
J. Chem. Phys.
(1996)
105
THE STRUCTURE OF $(C_60)_N$ CLUSTERS
JPK Doye, DJ Wales
Chem. Phys. Lett.
(1996)
262

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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