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- Currently displaying 621 - 640 of 674 publications
Structure and energetics of model metal clusters
– The Journal of Chemical Physics
(1992)
96,
8520
(doi: 10.1063/1.462305)
Spectroscopic signature of fractal excitons
– Journal of the Chemical Society, Faraday Transactions
(1992)
88,
1359
(doi: 10.1039/FT9928801359)
When do gradient optimisations converge to saddle points?
– Chemical Physics Letters
(1992)
190,
447
(doi: 10.1016/0009-2614(92)85171-6)
Basins of attraction for stationary points on a potential-energy surface
– Journal of the Chemical Society, Faraday Transactions
(1992)
88,
653-657
(doi: 10.1039/FT9928800653)
Chaos in small clusters of inert gas atoms
– The Journal of Chemical Physics
(1992)
96,
1376-1390
(doi: 10.1063/1.462173)
SIMULATED TRANSMISSION ELECTRON-MICROSCOPE IMAGES AND CHARACTERIZATION OF CONCENTRIC SHELL AND ICOSPIRAL GRAPHITIC MICROPARTICLES
– \jcsft
(1992)
88,
2815-2821
WHEN DO GRADIENT OPTIMIZATIONS CONVERGE TO SADDLE- POINTS
– Chem. Phys. Lett.
(1992)
190,
447-452
LIMITATIONS OF THE MURRELL-LAIDLER THEOREM
– \jcsft
(1992)
88,
543-544
STRUCTURE AND ENERGETICS OF MODEL SYMMETRICAL AND ASYMMETRIC DECAHEDRA
– Phil. Mag. B
(1992)
65,
1079-1096
Limitations of the Murrell–Laidler theorem
– Physical Chemistry Chemical Physics
(1992)
88,
543
(doi: 10.1039/ft9928800543)
SPECTROSCOPIC SIGNATURE OF FRACTAL EXCITONS
– \jcsft
(1992)
88,
1359-1367
SYSTEMATIC INVESTIGATION OF THE STRUCTURES AND REARRANGEMENTS OF 6- ATOM CLUSTERS BOUND BY A MODEL ANISOTROPIC POTENTIAL
– \jcsft
(1992)
88,
3295-3304
STRUCTURES AND REARRANGEMENTS OF MODEL SILICON CLUSTERS
– \jcsft
(1992)
88,
3409-3417
SOME FURTHER RESTRICTIONS ON THE GEOMETRIES OF TRANSITION-STATES
– Chem. Phys. Lett.
(1992)
198,
279-282
STRUCTURE AND ENERGETICS OF MODEL METAL-CLUSTERS
– J. Chem. Phys.
(1992)
96,
8520-8534
Instantaneous normal mode analysis and coexistence phenomena in small clusters
– Journal of the Chemical Society, Faraday Transactions
(1991)
87,
2399
(doi: 10.1039/ft9918702399)
Calculating the rate of loss of information from chaotic time series by forecasting
– Nature
(1991)
350,
485
(doi: 10.1038/350485a0)
Packing schemes for Lennard-Jones clusters of 13 to 150 atoms: minima, transition states and rearrangement mechanisms
– Physical Chemistry Chemical Physics
(1991)
87,
215
(doi: 10.1039/ft9918700215)
Stable configurations of confined cold ionic systems.
– Proc Natl Acad Sci U S A
(1991)
88,
483
(doi: 10.1073/pnas.88.2.483)
Theoretical study of some small van der waals complexes containing inert gas atoms
– Molecular Physics
(1991)
74,
1
(doi: 10.1080/00268979100102011)
