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- Currently displaying 581 - 600 of 691 publications
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 predictions of structure and thermodynamics in the large cluster regime
(1996)
313
241-280
(doi: 10.1007/978-94-009-0211-4_9)
Magic numbers and growth sequences of small face-centred-cubic and decahedral clusters
Chem. Phys. Lett.
(1995)
247
339-347
(doi: 10.1016/0009-2614(95)01223-0)
The effect of the range of the potential on the structures of clusters
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
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)
Calculation of thermodynamic properties of small Lennard-Jones clusters incorporating anharmonicity
J. Chem. Phys.
(1995)
102
9659
(doi: 10.1063/1.468785)
An order parameter approach to coexistence in atomic clusters
J. Chem. Phys.
(1995)
102
9673
(doi: 10.1063/1.468786)
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
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)
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
J. Chem. Phys.
(1995)
102
1592-1596
GRADIENT PATHS OF THE REACTIONS OF ELECTROPHILIC ADDITION OF HF TO ETHYLENE AND 1,2-H-SHIFT IN H2PN
J. Struct. Chem.
(1995)
36
525-537
POTENTIAL-ENERGY SURFACES OF VAN-DER-WAALS COMPLEXES OF WATER AND HYDROGEN HALIDES MODELED USING DISTRIBUTED MULTIPOLES
J. Chem. Phys.
(1995)
102
5551-5565
POTENTIAL-ENERGY SURFACES OF SEVERAL VAN-DER-WAALS COMPLEXES MODELED USING DISTRIBUTED MULTIPOLES
Chem. Phys. Lett.
(1995)
240
89-96
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURES OF CLUSTERS
J. Chem. Phys.
(1995)
103
4234-4249
Topography of potential-energy surfaces for Van der Waals complexes
Faraday Discussions
(1994)
97
243
(doi: 10.1039/fd9949700243)
Transition vector symmetry and the internal pseudo-rotation and inversion paths of CIF4 +
Physical Chemistry Chemical Physics
(1994)
90
1831
(doi: 10.1039/FT9949001831)
