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- Currently displaying 641 - 660 of 692 publications
When do gradient optimisations converge to saddle points?
Chemical Physics Letters
(1992)
190
447
(doi: 10.1016/0009-2614(92)85171-6)
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
SPECTROSCOPIC SIGNATURE OF FRACTAL EXCITONS
\jcsft
(1992)
88
1359-1367
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
WHEN DO GRADIENT OPTIMIZATIONS CONVERGE TO SADDLE- POINTS
Chem. Phys. Lett.
(1992)
190
447-452
STRUCTURE AND ENERGETICS OF MODEL METAL-CLUSTERS
J. Chem. Phys.
(1992)
96
8520-8534
Limitations of the Murrell–Laidler theorem
Journal of the Chemical Society Faraday Transactions
(1992)
88
543
(doi: 10.1039/ft9928800543)
SIMULATED TRANSMISSION ELECTRON-MICROSCOPE IMAGES AND CHARACTERIZATION OF CONCENTRIC SHELL AND ICOSPIRAL GRAPHITIC MICROPARTICLES
\jcsft
(1992)
88
2815-2821
Instantaneous normal mode analysis and coexistence phenomena in small clusters
Journal of the Chemical Society, Faraday Transactions
(1991)
87
2399
(doi: 10.1039/FT9918702399)
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
Proceedings of the National Academy of Sciences
(1991)
88
483
(doi: 10.1073/pnas.88.2.483)
THEORETICAL-STUDY OF SOME SMALL VANDERWAALS COMPLEXES CONTAINING INERT-GAS ATOMS
\molphys
(1991)
74
1-25
PACKING SCHEMES FOR LENNARD-JONES CLUSTERS OF 13 TO 150 ATOMS - MINIMA, TRANSITION-STATES AND REARRANGEMENT MECHANISMS
\jcsft
(1991)
87
215-222
rearrangements in polyhedral boranes and metal clusters
electron deficient boron and carbon clusters
(1991)
143
Theoretical study of some small van der Waals complexes containing inert gas atoms
Molecular Physics
(1991)
74
1
(doi: 10.1080/00268979100102011)
SKELETAL REARRANGEMENTS IN CLUSTERS - SOME NEW THEORETICAL INSIGHTS INVOLVING LIPSCOMB DIAMOND-SQUARE-DIAMOND MECHANISM
ELECTRON DEFICIENT BORON AND CARBON CLUSTERS
(1991)
143
