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- Currently displaying 581 - 600 of 689 publications
Magic numbers and growth sequences of small face-centered-cubic and decahedral clusters
Chemical Physics Letters
(1995)
247
339
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
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)
Calculation of thermodynamic properties of small Lennard-Jones clusters incorporating anharmonicity
Journal of Chemical Physics
(1995)
102
9659-9672
(doi: 10.1063/1.468785)
An order parameter approach to coexistence in atomic clusters
J. Chem. Phys.
(1995)
102
9673-9688
(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
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)
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
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
J. Chem. Phys.
(1995)
102
1592-1596
MAGIC NUMBERS AND GROWTH SEQUENCES OF SMALL FACE- CENTERED-CUBIC AND DECAHEDRAL CLUSTERS
Chem. Phys. Lett.
(1995)
247
339-347
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURES OF CLUSTERS
J. Chem. Phys.
(1995)
103
4234-4249
POTENTIAL-ENERGY SURFACES OF SEVERAL VAN-DER-WAALS COMPLEXES MODELED USING DISTRIBUTED MULTIPOLES
Chem. Phys. Lett.
(1995)
240
89-96
Topography of potential-energy surfaces for Van der Waals complexes
Faraday Discussions
(1994)
97
243
(doi: 10.1039/FD9949700243)
Coexistence in Finite Systems
Physical review letters
(1994)
73
2875-2878
(doi: 10.1103/PhysRevLett.73.2875)
Rearrangements in model face-centered-cubic solids
Physical Review B
(1994)
50
12342
(doi: 10.1103/PhysRevB.50.12342)
Rearrangements of 55-atom Lennard-Jones and (C60)55 clusters
Journal of Chemical Physics
(1994)
101
3750
(doi: 10.1063/1.467559)
