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- Currently displaying 541 - 560 of 695 publications
Thermodynamics of global optimization
\prl
(1998)
80
1357-1360
Dynamics and Rearrangements of Water Cluster
(1998)
3
365
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)
Isomerization dynamics and ergodicity in Ar-7
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 (C-60)(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)
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
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 Fur 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
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
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)
Rearrangements of bulk face-centred-cubic nickel modelled by a Sutton[ndash ]Chen potential
Faraday Discussions
(1997)
106
409
(doi: 10.1039/a701489i)
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
Reactions of size-selected positively charged nickel clusters with carbon monoxide in molecular beams
J. Chem. Phys.
(1997)
107
3492-3497
Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3
\jpca
(1997)
101
1384-1392
