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- Currently displaying 541 - 560 of 654 publications
STRUCTURE, REARRANGEMENTS AND EVAPORATION OF ROTATING ATOMIC CLUSTERS
– \molphys
(1996)
89,
533-554
STRUCTURE, DYNAMICS, AND THERMODYNAMICS OF CLUSTERS - TALES FROM TOPOGRAPHIC POTENTIAL SURFACES
– Science
(1996)
271,
925-929
ON POTENTIAL-ENERGY SURFACES AND RELAXATION TO THE GLOBAL MINIMUM
– J. Chem. Phys.
(1996)
105,
8428-8445
THEORETICAL-STUDY OF THE WATER pentamer
– J. Chem. Phys.
(1996)
105,
6957
REARRANGEMENTS OF THE WATER TRIMER
– \jcsft
(1996)
92,
2505-2517
Magic numbers and growth sequences of small face-centred-cubic and decahedral clusters
– Chemical Physics Letters
(1995)
247,
339
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)
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
– The 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
MAGIC NUMBERS AND GROWTH SEQUENCES OF SMALL FACE- CENTERED-CUBIC AND DECAHEDRAL CLUSTERS
– Chem. Phys. Lett.
(1995)
247,
339-347
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
– J. Chem. Phys.
(1995)
102,
1592-1596
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
POTENTIAL-ENERGY SURFACES OF VAN-DER-WAALS COMPLEXES OF WATER AND HYDROGEN HALIDES MODELED USING DISTRIBUTED MULTIPOLES
– J. Chem. Phys.
(1995)
102,
5551-5565
