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- Currently displaying 601 - 620 of 695 publications
POTENTIAL-ENERGY SURFACES OF VAN-DER-WAALS COMPLEXES OF WATER AND HYDROGEN HALIDES MODELED USING DISTRIBUTED MULTIPOLES
J. Chem. Phys.
(1995)
102
5551-5565
GRADIENT PATHS OF THE REACTIONS OF ELECTROPHILIC ADDITION OF HF TO ETHYLENE AND 1,2-H-SHIFT IN H2PN
J. Struct. Chem.
(1995)
36
525-537
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURES OF CLUSTERS
J. Chem. Phys.
(1995)
103
4234-4249
Topography of potential-energy surfaces for Van der Waals complexes
Faraday Discussions
(1994)
97
243
(doi: 10.1039/fd9949700243)
Rearrangements in model face-centered-cubic solids.
Phys Rev B Condens Matter
(1994)
50
12342
(doi: 10.1103/physrevb.50.12342)
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 H 2 elimination from formaldehyde
Journal of the Chemical Society, Faraday Transactions
(1994)
90
1839
(doi: 10.1039/ft9949001839)
Transition vector symmetry and the internal pseudo-rotation and inversion paths of CIF 4 +
Journal of the Chemical Society, Faraday Transactions
(1994)
90
1831
(doi: 10.1039/FT9949001831)
Electronic structure of small silicon clusters.
Physical review. A, Atomic, molecular, and optical physics
(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
Chem. Phys. Lett.
(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 PATHS FOR 1,2 H SHIFT REACTIONS IN PHOSPHINONITRENE AND FORMALDEHYDE, AND H2 ELIMINATION FROM FORMALDEHYDE
\jcsft
(1994)
90
1839-1847
GRADIENT LINE REACTION-PATH FOR AN S(N)2 REACTION AT NEUTRAL NITROGEN
\jpc
(1994)
98
7942-7944
GRADIENT LINE REACTION-PATH OF HF ADDITION TO ETHYLENE
Chem. Phys. Lett.
(1994)
218
413-421
TRANSITION VECTOR SYMMETRY AND THE INTERNAL PSEUDO- ROTATION AND INVERSION PATHS OF CLF4+
\jcsft
(1994)
90
1831-1837
REARRANGEMENTS IN MODEL FACE-CENTERED-CUBIC SOLIDS
Phys. Rev. B
(1994)
50
12342-12361
CLUSTERS OF C60 MOLECULES
Physical Chemistry Chemical Physics
(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
