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  • Currently displaying 541 - 551 of 551 publications
Theoretical study of rearrangements in boranes
DJ WALES, AJ STONE
– Inorganic Chemistry
(1987)
26,
3845
A new structural tensor surface harmonic bonding theory
AJ STONE, DJ WALES
– \molphys
(1987)
61,
747
Theoretical studies of icosahedral C60 and some related species
AJ STONE, DJ WALES
– Chemical Physics Letters
(1986)
128,
501
Structure and Torsional Dynamics of the Water Octamer
DJ Wales, W Cole, J Farrell, R Saykally
– Science
PATHSAMPLE: A program for generating connected stationary point databases and extracting global kinetics
DJ Wales
GMIN: A program for basin-hopping global optimisation
DJ Wales
OPTIM: A program for optimising geometries and calculating pathways
DJ Wales
OPTIM: A program for geometry optimisation and pathway calculations
DJ Wales
MELTING AND FREEZING OF SMALL ARGON CLUSTERS
D WALES, R BERRY
– JOURNAL OF CHEMICAL PHYSICS
92,
{4283-4295}
Machine learning techniques for improving prediction of unplanned intensive care readmission
A Ercole, R Desautels, R Das, J Calvert, M Trivedi, C Summers, D Wales
Energy Landscape and Pathways for Transitions between Watson-Crick and Hoogsteen Base Pairing in DNA
DJ Wales, D Chakraborty
– pccp