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- Currently displaying 581 - 600 of 693 publications
ON POTENTIAL-ENERGY SURFACES AND RELAXATION TO THE GLOBAL MINIMUM
J. Chem. Phys.
(1996)
105
8428-8445
THE STRUCTURE OF $(C_60)_N$ CLUSTERS
Chem. Phys. Lett.
(1996)
262
167-174
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
WHAT CAN CALCULATIONS EMPLOYING EMPIRICAL POTENTIALS TEACH US ABOUT BARE TRANSITION-METAL CLUSTERS
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
(1996)
611-623
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
241-280
(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
Journal of Chemical Physics
(1995)
103
3061-3070
(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
9659-9672
(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
The 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
POTENTIAL-ENERGY SURFACES OF SEVERAL VAN-DER-WAALS COMPLEXES MODELED USING DISTRIBUTED MULTIPOLES
Chem. Phys. Lett.
(1995)
240
89-96
POTENTIAL-ENERGY SURFACES OF VAN-DER-WAALS COMPLEXES OF WATER AND HYDROGEN HALIDES MODELED USING DISTRIBUTED MULTIPOLES
J. Chem. Phys.
(1995)
102
5551-5565
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
