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- Currently displaying 541 - 560 of 681 publications
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)
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
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
Structural consequences of the range of the interatomic potential - A menagerie of clusters
– J. Chem. Soc., Faraday Trans.
(1997)
93,
4233-4243
Theoretical study of the water tetramer
– J. Chem. Phys.
(1997)
106,
7193-7207
Relaxation of collective excitations in LJ-13 cluster - Comment
– J. Chem. Phys.
(1997)
106,
5296-5296
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
Rearrangements of bulk face-centred cubic nickel modelled by a Sutton-Chen potential
– Faraday Discussions
(1997)
106,
409
(doi: 10.1039/a701489i)
On potential energy surfaces and relaxation to the global minimum
– The 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
– 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
– Physical Chemistry Chemical Physics
(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)
