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- Currently displaying 541 - 560 of 693 publications
Isomerization dynamics and ergodicity in Ar-7
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
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
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
Physical Review E
(1997)
56
363
(doi: 10.1103/physreve.56.363)
Structural predictions for (c60)N clusters with an all-atom potential
Chemical Physics Letters
(1997)
269
408
Theoretical study of the water tetramer
The 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)
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)
Thermally-induced surface reconstructions of Mackay icosahedra
Zeitschrift für Physik D Atoms, Molecules and Clusters
(1997)
40
466
(doi: 10.1007/s004600050253)
Fluctuation, relaxation and rearrangement dynamics of a model (H2O)(20) cluster: Non-statistical dynamical behavior
The Journal of Chemical Physics
(1997)
106
3329
(doi: 10.1063/1.473081)
Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3
Journal of Physical Chemistry A
(1997)
101
1384
(doi: 10.1021/jp9628343)
Structure, dynamics, and thermodynamics of benzene-Ar-n clusters (1<=n<=B and n=19)
The Journal of Chemical Physics
(1997)
106
1530
(doi: 10.1063/1.473301)
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
Structural predictions for $\rm (C_60)_N$ clusters with an all-atom potential
Chem. Phys. Lett.
(1997)
269
408-412
Rearrangements of bulk face-centred-cubic nickel modelled by a Sutton-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
Structural consequences of the range of the interatomic potential A menagerie of clusters
Journal of the Chemical Society, Faraday Transactions
(1997)
93
4233
(doi: 10.1039/a706221d)
Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3
\jpca
(1997)
101
1384-1392
