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- Currently displaying 561 - 580 of 700 publications
Rearrangements and tunneling splittings in small water clusters
RECENT THEORETICAL AND EXPERIMENTAL ADVANCES IN HYDROGEN BONDED CLUSTERS
(1997)
561
201
Structural consequences of the range of the interatomic potential - A menagerie of clusters
J. Chem. Soc., Faraday Trans.
(1997)
93
4233-4243
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
Relaxation of collective excitations in LJ-13 cluster - Comment
J. Chem. Phys.
(1997)
106
5296-5296
Reactions of size-selected positively charged nickel clusters with carbon monoxide in molecular beams
J. Chem. Phys.
(1997)
107
3492-3497
Isomerization dynamics and ergodicity in Ar-7
J. Chem. Phys.
(1997)
107
8568-8574
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
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
On potential energy surfaces and relaxation to the global minimum
Journal of Chemical Physics
(1996)
105
8428
(doi: 10.1063/1.472697)
The structure of (C60)N clusters
Chemical Physics Letters
(1996)
262
167
(doi: 10.1016/0009-2614(96)01039-1)
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
Mol. Phys.
(1996)
89
533
(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?
Journal of the Chemical Society Dalton Transactions
(1996)
611
(doi: 10.1039/dt9960000611)
From topographies to dynamics on multidimensional potential energy surfaces of atomic clusters
Science
(1996)
271
963
(doi: 10.1126/science.271.5251.963)
Structure, Dynamics, and Thermodynamics of Clusters: Tales from Topographic Potential Surfaces
Science
(1996)
271
925
(doi: 10.1126/science.271.5251.925)
