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  • Currently displaying 541 - 560 of 683 publications
Author(s)
Publication title
Journal Name
Publication year
Fluctuation, relaxation and rearrangement dynamics of a model (H2O)(20) cluster: Non-statistical dynamical behavior
A Baba, Y Hirata, S Saito, I Ohmine, DJ Wales
Journal of Chemical Physics
(1997)
106
Gradient Line Reaction Paths for Hindered Internal Rotation in H2BNH2and Inversion in PF3
RM Minyaev, DJ Wales, TR Walsh
The Journal of Physical Chemistry A
(1997)
101
Structure, dynamics, and thermodynamics of benzene-Ar n clusters (1⩽ n ⩽8 and n =19)
A Dullweber, MP Hodges, DJ Wales
Journal of Chemical Physics
(1997)
106
Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms
DJ Wales, JPK Doye
J. Phys. Chem. A
(1997)
101
Isomerization dynamics and ergodicity in Ar-7
MA Miller, DJ Wales
J. Chem. Phys.
(1997)
107
Theoretical study of the water tetramer
DJ Wales, TR Walsh
J. Chem. Phys.
(1997)
106
Relaxation of collective excitations in LJ-13 cluster - Comment
DJ Wales, JPK Doye
J. Chem. Phys.
(1997)
106
Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3
RM Minyaev, DJ Wales, TR Walsh
\jpca
(1997)
101
Structural predictions for $\rm (C_60)_N$ clusters with an all-atom potential
JPK Doye, A Dullweber, DJ Wales
Chem. Phys. Lett.
(1997)
269
Reactions of size-selected positively charged nickel clusters with carbon monoxide in molecular beams
S Vajda, S Wolf, T Leisner, U Busolt, LH Woste, DJ Wales
J. Chem. Phys.
(1997)
107
Structural consequences of the range of the interatomic potential - A menagerie of clusters
JPK Doye, DJ Wales
J. Chem. Soc., Faraday Trans.
(1997)
93
Structure, dynamics, and thermodynamics of benzene-Ar-n clusters (1<=n<=B and n=19)
A Dullweber, MP Hodges, DJ Wales
J. Chem. Phys.
(1997)
106
Rearrangements of bulk face-centred-cubic nickel modelled by a Sutton-Chen potential
LJ Munro, DJ Wales
Faraday Discussions
(1997)
106
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
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
MA Miller, DJ 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
Dalton Transactions
(1996)