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- Currently displaying 581 - 600 of 695 publications
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURE AND STABILITY OF SIMPLE LIQUIDS - FROM CLUSTERS TO BULK, FROM SODIUM TO C-60
J. Phys. B
(1996)
29
4859-4894
THE STRUCTURE OF $(C_60)_N$ CLUSTERS
Chem. Phys. Lett.
(1996)
262
167-174
ON POTENTIAL-ENERGY SURFACES AND RELAXATION TO THE GLOBAL MINIMUM
J. Chem. Phys.
(1996)
105
8428-8445
THE STRUCTURE AND STABILITY OF ATOMIC LIQUIDS - FROM CLUSTERS TO BULK
Science
(1996)
271
484-487
THEORETICAL-STUDY OF RAPID TOPOMERIZATION IN TETRACYCLO[4.4.4.4]-1- BORA-3,5-DIAZAPENTANE
Chem. Phys. Lett.
(1996)
259
173
STRUCTURE, DYNAMICS, AND THERMODYNAMICS OF CLUSTERS - TALES FROM TOPOGRAPHIC POTENTIAL SURFACES
Science
(1996)
271
925-929
THEORETICAL-STUDY OF THE WATER pentamer
J. Chem. Phys.
(1996)
105
6957
Theoretical predictions of structure and thermodynamics in the large cluster regime
(1996)
313
241
(doi: 10.1007/978-94-009-0211-4_9)
Magic numbers and growth sequences of small face-centred-cubic and decahedral clusters
Chemical Physics Letters
(1995)
247
339
(doi: 10.1016/0009-2614(95)01223-0)
The effect of the range of the potential on the structures of clusters
The Journal of Chemical Physics
(1995)
103
4234
(doi: 10.1063/1.470729)
Coexistence and phase separation in clusters: From the small to the not-so-small regime
The Journal of Chemical Physics
(1995)
103
3061
(doi: 10.1063/1.470494)
Gradient paths of the reactions of electrophilic addition of HF to ethylene and 1,2 H-shift in H2PN
Journal of Structural Chemistry
(1995)
36
525
(doi: 10.1007/BF02578641)
Potential energy surfaces of several van der Waals complexes modelled using distributed multipoles
Chemical Physics Letters
(1995)
240
89
(doi: 10.1016/0009-2614(95)00497-r)
An order parameter approach to coexistence in atomic clusters
The Journal of Chemical Physics
(1995)
102
9673
(doi: 10.1063/1.468786)
Calculation of thermodynamic properties of small Lennard-Jones clusters incorporating anharmonicity
The Journal of Chemical Physics
(1995)
102
9659
(doi: 10.1063/1.468785)
Empirical correlations between thermodynamic properties and intermolecular forces
Journal of the American Chemical Society
(1995)
117
Potential energy surfaces of van der Waals complexes of water and hydrogen halides modeled using distributed multipoles
The Journal of Chemical Physics
(1995)
102
5551
(doi: 10.1063/1.469284)
Reaction path zero-point energy from diffusion Monte Carlo calculations
Journal of Chemical Physics
(1995)
102
1592
(doi: 10.1063/1.468891)
POTENTIAL-ENERGY SURFACES OF SEVERAL VAN-DER-WAALS COMPLEXES MODELED USING DISTRIBUTED MULTIPOLES
Chem. Phys. Lett.
(1995)
240
89-96
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
J. Chem. Phys.
(1995)
102
1592-1596
