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- Currently displaying 621 - 640 of 709 publications
Rearrangements of 55-atom Lennard-Jones and (C60)55 clusters
The Journal of Chemical Physics
(1994)
101
3750
(doi: 10.1063/1.467559)
Gradient-line reaction paths for 1,2, H shift reactions in phosphinonitrene and formaldehyde, and H2 elimination from formaldehyde
Physical Chemistry Chemical Physics
(1994)
90
1839
(doi: 10.1039/ft9949001839)
TRANSITION VECTOR SYMMETRY AND THE INTERNAL PSEUDO-ROTATION AND INVERSION PATHS OF CLF4+
Journal of the Chemical Society, Faraday Transactions
(1994)
90
1831
(doi: 10.1039/FT9949001831)
Electronic Structure of Small Silicon Clusters
Phys Rev A
(1994)
49
2195
(doi: 10.1103/physreva.49.2195)
Gradient line reaction path of HF addition to ethylene
Chemical Physics Letters
(1994)
218
413
(doi: 10.1016/0009-2614(94)00018-2)
Ab initio calculation of molecular structure by expansion of the electron density
Chemical Physics Letters
(1994)
217
302-310
(doi: 10.1016/0009-2614(93)e1387-v)
Free energy barriers to melting in atomic clusters
Journal of Chemical Physics
(1994)
101
1460
(doi: 10.1063/1.467771)
GRADIENT LINE REACTION-PATH FOR AN S(N)2 REACTION AT NEUTRAL NITROGEN
\jpc
(1994)
98
7942-7944
GRADIENT-LINE REACTION PATHS FOR 1,2 H SHIFT REACTIONS IN PHOSPHINONITRENE AND FORMALDEHYDE, AND H2 ELIMINATION FROM FORMALDEHYDE
\jcsft
(1994)
90
1839-1847
TRANSITION VECTOR SYMMETRY AND THE INTERNAL PSEUDO- ROTATION AND INVERSION PATHS OF CLF4+
\jcsft
(1994)
90
1831-1837
GRADIENT LINE REACTION-PATH OF HF ADDITION TO ETHYLENE
Chem. Phys. Lett.
(1994)
218
413-421
REARRANGEMENTS IN MODEL FACE-CENTERED-CUBIC SOLIDS
Phys. Rev. B
(1994)
50
12342-12361
CLUSTERS OF C60 MOLECULES
Journal of the Chemical Society, Faraday Transactions
(1994)
90
1061
(doi: 10.1039/ft9949001061)
REARRANGEMENTS OF 55-ATOM LENNARD-JONES AND (C-60)(55) CLUSTERS
J. Chem. Phys.
(1994)
101
3750-3762
Locating stationary points for clusters in cartesian coordinates
Journal of the Chemical Society, Faraday Transactions
(1993)
89
1305
(doi: 10.1039/FT9938901305)
REARRANGEMENTS OF MODEL (H2O)8 AND (H2O)20 CLUSTERS
Journal of Chemical Physics
(1993)
98
7257
(doi: 10.1063/1.464717)
Structure, dynamics, and thermodynamics of model (H2O)8 and (H2O)20 clusters
Journal of Chemical Physics
(1993)
98
7245
(doi: 10.1063/1.464716)
Structure and dynamics of model metal clusters
Journal of Chemical Physics
(1993)
98
5720
(doi: 10.1063/1.464865)
Structure and dynamics of model Ag and Pt clusters
Zeitschrift Fur Physik D Atoms Molecules and Clusters
(1993)
26
258
(doi: 10.1007/BF01429162)
Structure, dynamics and thermodynamics of small particles and inorganic clusters
Zeitschrift Fur Physik D Atoms Molecules and Clusters
(1993)
26
105
(doi: 10.1007/bf01429117)
