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- Currently displaying 541 - 560 of 689 publications
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)
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)
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
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-Arn clusters (1≤n≤8 and n=19)
Journal of Chemical Physics
(1997)
106
1530
(doi: 10.1063/1.473301)
Structural predictions for $\rm (C_60)_N$ clusters with an all-atom potential
Chem. Phys. Lett.
(1997)
269
408-412
Isomerization dynamics and ergodicity in Ar-7
J. Chem. Phys.
(1997)
107
8568-8574
Reactions of size-selected positively charged nickel clusters with carbon monoxide in molecular beams
J. Chem. Phys.
(1997)
107
3492-3497
Structure, dynamics, and thermodynamics of benzene-Ar-n clusters (1<=n<=B and n=19)
J. Chem. Phys.
(1997)
106
1530-1544
Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3
\jpca
(1997)
101
1384-1392
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
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
Relaxation of collective excitations in LJ-13 cluster - Comment
J. Chem. Phys.
(1997)
106
5296-5296
On potential energy surfaces and relaxation to the global minimum
The Journal of Chemical Physics
(1996)
105
8428
(doi: 10.1063/1.472697)
