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  • Currently displaying 601 - 620 of 694 publications
Author(s)
Publication title
Journal Name
Publication year
POTENTIAL-ENERGY SURFACES OF SEVERAL VAN-DER-WAALS COMPLEXES MODELED USING DISTRIBUTED MULTIPOLES
DJ Wales, AJ Stone, PLA Popelier
Chem. Phys. Lett.
(1995)
240
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURES OF CLUSTERS
JPK Doye, DJ Wales, RS Berry
J. Chem. Phys.
(1995)
103
TRANSITION VECTOR SYMMETRY AND THE INTERNAL PSEUDO-ROTATION AND INVERSION PATHS OF CLF4+
RM Minyaev, DJ Wales
Journal of the Chemical Society, Faraday Transactions
(1994)
90
GRADIENT-LINE REACTION PATHS FOR 1,2 H SHIFT REACTIONS IN PHOSPHINONITRENE AND FORMALDEHYDE, AND H2 ELIMINATION FROM FORMALDEHYDE
RM Minyaev, DJ Wales
Physical Chemistry Chemical Physics
(1994)
90
Topography of potential-energy surfaces for Van der Waals complexes
PLA Popelier, AJ Stone, DJ Wales
Faraday Discussions
(1994)
97
Coexistence in finite systems.
DJ Wales, RS Berry
\prl
(1994)
73
Rearrangements in model face-centered-cubic solids.
DJ Wales, J Uppenbrink
Physical review. B, Condensed matter
(1994)
50
REARRANGEMENTS OF 55-ATOM LENNARD-JONES AND (C-60)(55) CLUSTERS
DJ Wales
Journal of Chemical Physics
(1994)
101
Electronic structure of small silicon clusters.
DJ Wales
Phys. Rev. A
(1994)
49
Ab initio calculation of molecular structure by expansion of the electron density
DJ Wales
Chem. Phys. Lett.
(1994)
217
GRADIENT-LINE REACTION PATHS FOR 1,2 H SHIFT REACTIONS IN PHOSPHINONITRENE AND FORMALDEHYDE, AND H2 ELIMINATION FROM FORMALDEHYDE
RM Minyaev, DJ Wales
\jcsft
(1994)
90
GRADIENT LINE REACTION-PATH OF HF ADDITION TO ETHYLENE
RM Minyaev, DJ Wales
Chem. Phys. Lett.
(1994)
218
Clusters of C60 molecules
DJ Wales
Physical Chemistry Chemical Physics
(1994)
90
Free energy barriers to melting in atomic clusters
RM Lynden-Bell, DJ Wales
Journal of Chemical Physics
(1994)
101
REARRANGEMENTS OF 55-ATOM LENNARD-JONES AND (C-60)(55) CLUSTERS
DJ Wales
J. Chem. Phys.
(1994)
101
REARRANGEMENTS IN MODEL FACE-CENTERED-CUBIC SOLIDS
DJ Wales, J Uppenbrink
Phys. Rev. B
(1994)
50
GRADIENT LINE REACTION-PATH FOR AN S(N)2 REACTION AT NEUTRAL NITROGEN
RM Minyaev, DJ Wales
\jpc
(1994)
98
TRANSITION VECTOR SYMMETRY AND THE INTERNAL PSEUDO- ROTATION AND INVERSION PATHS OF CLF4+
RM Minyaev, DJ Wales
\jcsft
(1994)
90
Locating stationary points for clusters in cartesian coordinates
DJ Wales
Physical Chemistry Chemical Physics
(1993)
89
Rearrangements of model (H2O)8 and (H 2O)20 clusters
DJ Wales, I Ohmine
The Journal of Chemical Physics
(1993)
98

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