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- Currently displaying 641 - 660 of 694 publications
Some further restrictions on the geometries of transition states
Chemical Physics Letters
(1992)
198
279
(doi: 10.1016/0009-2614(92)85051-b)
Structure and energetics of model metal clusters
The Journal of Chemical Physics
(1992)
96
8520
(doi: 10.1063/1.462305)
When do gradient optimisations converge to saddle points?
Chemical Physics Letters
(1992)
190
447
(doi: 10.1016/0009-2614(92)85171-6)
Limitations of the Murrell–Laidler theorem
Physical Chemistry Chemical Physics
(1992)
88
543
(doi: 10.1039/FT9928800543)
SYSTEMATIC INVESTIGATION OF THE STRUCTURES AND REARRANGEMENTS OF 6- ATOM CLUSTERS BOUND BY A MODEL ANISOTROPIC POTENTIAL
\jcsft
(1992)
88
3295-3304
LIMITATIONS OF THE MURRELL-LAIDLER THEOREM
\jcsft
(1992)
88
543-544
WHEN DO GRADIENT OPTIMIZATIONS CONVERGE TO SADDLE- POINTS
Chem. Phys. Lett.
(1992)
190
447-452
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
SIMULATED TRANSMISSION ELECTRON-MICROSCOPE IMAGES AND CHARACTERIZATION OF CONCENTRIC SHELL AND ICOSPIRAL GRAPHITIC MICROPARTICLES
\jcsft
(1992)
88
2815-2821
STRUCTURE AND ENERGETICS OF MODEL METAL-CLUSTERS
J. Chem. Phys.
(1992)
96
8520-8534
STRUCTURE AND ENERGETICS OF MODEL SYMMETRICAL AND ASYMMETRIC DECAHEDRA
Phil. Mag. B
(1992)
65
1079-1096
SPECTROSCOPIC SIGNATURE OF FRACTAL EXCITONS
\jcsft
(1992)
88
1359-1367
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)
Instantaneous normal mode analysis and coexistence phenomena in small clusters
Physical Chemistry Chemical Physics
(1991)
87
2399
(doi: 10.1039/FT9918702399)
Stable configurations of confined cold ionic systems.
Proc Natl Acad Sci U S A
(1991)
88
483
(doi: 10.1073/pnas.88.2.483)
Calculating the rate of loss of information from chaotic time series by forecasting
Nature
(1991)
350
485-488
(doi: 10.1038/350485a0)
Theoretical study of some small van der Waals complexes containing inert gas atoms
Molecular Physics
(1991)
74
1
(doi: 10.1080/00268979100102011)
PACKING SCHEMES FOR LENNARD-JONES CLUSTERS OF 13 TO 150 ATOMS - MINIMA, TRANSITION-STATES AND REARRANGEMENT MECHANISMS
\jcsft
(1991)
87
215-222
