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- Currently displaying 541 - 560 of 685 publications
Thermally-induced surface reconstructions of Mackay icosahedra
Zeitschrift für Physik D Atoms Molecules and Clusters
(1997)
40
466
(doi: 10.1007/s004600050253)
Surveying a potential energy surface by eigenvector-following - Applications to global optimisation and the structural transformations of clusters
Zeitschrift für Physik D Atoms, Molecules and Clusters
(1997)
40
194
(doi: 10.1007/s004600050192)
Fluctuation, relaxation and rearrangement dynamics of a model (H2O)(20) cluster: Non-statistical dynamical behavior
J. Chem. Phys.
(1997)
106
3329
(doi: 10.1063/1.473081)
Gradient Line Reaction Paths for Hindered Internal Rotation in H2BNH2 and Inversion in PF3
The Journal of Physical Chemistry A
(1997)
101
1384
(doi: 10.1021/jp9628343)
Structure, dynamics, and thermodynamics of benzene-Ar n clusters (1⩽ n ⩽8 and n =19)
The Journal of Chemical Physics
(1997)
106
1530
(doi: 10.1063/1.473301)
Rearrangements of bulk face-centred-cubic nickel modelled by a Sutton[ndash ]Chen potential
Faraday Discussions
(1997)
106
409
(doi: 10.1039/a701489i)
Structural consequences of the range of the interatomic potential - A menagerie of clusters
J. Chem. Soc., Faraday Trans.
(1997)
93
4233-4243
Theoretical study of the water tetramer
J. Chem. Phys.
(1997)
106
7193-7207
Structural predictions for $\rm (C_60)_N$ clusters with an all-atom potential
Chem. Phys. Lett.
(1997)
269
408-412
Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3
\jpca
(1997)
101
1384-1392
Structure, dynamics, and thermodynamics of benzene-Ar-n clusters (1<=n<=B and n=19)
J. Chem. Phys.
(1997)
106
1530-1544
Isomerization dynamics and ergodicity in Ar-7
J. Chem. Phys.
(1997)
107
8568-8574
Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms
J. Phys. Chem. A
(1997)
101
5111-5116
Relaxation of collective excitations in LJ-13 cluster - Comment
J. Chem. Phys.
(1997)
106
5296-5296
Reactions of size-selected positively charged nickel clusters with carbon monoxide in molecular beams
J. Chem. Phys.
(1997)
107
3492-3497
On potential energy surfaces and relaxation to the global minimum
Journal of Chemical Physics
(1996)
105
8428
(doi: 10.1063/1.472697)
The structure of (C-60)(N) clusters
Chemical Physics Letters
(1996)
262
167
(doi: 10.1016/0009-2614(96)01039-1)
Theoretical study of the water pentamer
The Journal of Chemical Physics
(1996)
105
6957
(doi: 10.1063/1.471987)
Structure, rearrangements and evaporation of rotating atomic clusters
Mol. Phys.
(1996)
89
533
(doi: 10.1080/00268979609482492)
Theoretical study of rapid topomerization in tetracyclo[4.4.4.4]-1-bora-3,5-diazapentane
Chemical Physics Letters
(1996)
259
173
(doi: 10.1016/0009-2614(96)00717-8)
