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- Currently displaying 541 - 560 of 683 publications
Fluctuation, relaxation and rearrangement dynamics of a model (H2O)(20) cluster: Non-statistical dynamical behavior
Journal of Chemical Physics
(1997)
106
3329
(doi: 10.1063/1.473081)
Gradient Line Reaction Paths for Hindered Internal Rotation in H2BNH2and 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)
Journal of Chemical Physics
(1997)
106
1530
(doi: 10.1063/1.473301)
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
Isomerization dynamics and ergodicity in Ar-7
J. Chem. Phys.
(1997)
107
8568-8574
Theoretical study of the water tetramer
J. Chem. Phys.
(1997)
106
7193-7207
Relaxation of collective excitations in LJ-13 cluster - Comment
J. Chem. Phys.
(1997)
106
5296-5296
Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3
\jpca
(1997)
101
1384-1392
Structural predictions for $\rm (C_60)_N$ clusters with an all-atom potential
Chem. Phys. Lett.
(1997)
269
408-412
Reactions of size-selected positively charged nickel clusters with carbon monoxide in molecular beams
J. Chem. Phys.
(1997)
107
3492-3497
Structural consequences of the range of the interatomic potential - A menagerie of clusters
J. Chem. Soc., Faraday Trans.
(1997)
93
4233-4243
Structure, dynamics, and thermodynamics of benzene-Ar-n clusters (1<=n<=B and n=19)
J. Chem. Phys.
(1997)
106
1530-1544
Rearrangements of bulk face-centred-cubic nickel modelled by a Sutton-Chen potential
Faraday Discussions
(1997)
106
409
(doi: 10.1039/a701489i)
The structure of (C-60)(N) clusters
Chemical Physics Letters
(1996)
262
167
(doi: 10.1016/0009-2614(96)01039-1)
On potential energy surfaces and relaxation to the global minimum
Journal of Chemical Physics
(1996)
105
8428
(doi: 10.1063/1.472697)
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
Molecular Physics
(1996)
89
533-554
(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)
Rearrangements of the water trimer
Journal of the Chemical Society - Faraday Transactions
(1996)
92
2505
(doi: 10.1039/ft9969202505)
What can calculations employing empirical potentials teach us about bare transition-metal clusters?
Dalton Transactions
(1996)
611
(doi: 10.1039/dt9960000611)