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- Currently displaying 541 - 560 of 694 publications
Global minima for transition metal clusters described by Sutton-Chen potentials
New J. Chem.
(1998)
22
733-744
(doi: 10.1039/a709249k)
Isomerization dynamics and ergodicity in Ar7
The Journal of Chemical Physics
(1997)
107
8568
(doi: 10.1063/1.475008)
Reactions of size-selected positively charged nickel clusters with carbon monoxide in molecular beams
The Journal of Chemical Physics
(1997)
107
3492
(doi: 10.1063/1.474688)
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
The Journal of Physical Chemistry A
(1997)
101
5111
(doi: 10.1021/jp970984n)
Effects of three-body (Axilrod-Teller) forces on the classical and quantum behavior of rare-gas trimers
\pre
(1997)
56
363-377
(doi: 10.1103/physreve.56.363)
Structural predictions for (C-60)(N) clusters with an all-atom potential
Chemical Physics Letters
(1997)
269
408
Theoretical study of the water tetramer
Journal of Chemical Physics
(1997)
106
7193
(doi: 10.1063/1.473681)
Comment on “Relaxation of collective excitations in LJ-13 cluster” [J. Chem. Phys. 105, 3679 (1996)]
The Journal of Chemical Physics
(1997)
106
5296
(doi: 10.1063/1.473994)
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)
Thermally-induced surface reconstructions of Mackay icosahedra
Zeitschrift Fur Physik D Atoms Molecules and Clusters
(1997)
40
466
(doi: 10.1007/s004600050253)
Comparison of reaction pathways calculated by different algorithms for disilane and water trimer
Zeitschrift für Physik D Atoms Molecules and Clusters
(1997)
40
229
(doi: 10.1007/s004600050200)
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 H2BNH2and Inversion in PF3
Journal of Physical Chemistry A
(1997)
101
1384
(doi: 10.1021/jp9628343)
Structure, dynamics, and thermodynamics of benzene-Arn clusters (1≤n≤8 and n=19)
The Journal of Chemical Physics
(1997)
106
1530
(doi: 10.1063/1.473301)
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
Isomerization dynamics and ergodicity in Ar-7
J. Chem. Phys.
(1997)
107
8568-8574
Structural predictions for $\rm (C_60)_N$ clusters with an all-atom potential
Chem. Phys. Lett.
(1997)
269
408-412
Theoretical study of the water tetramer
J. Chem. Phys.
(1997)
106
7193-7207
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
