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- Currently displaying 581 - 600 of 680 publications
Reaction path zero-point energy from diffusion Monte Carlo calculations
– The Journal of Chemical Physics
(1995)
102,
1592
(doi: 10.1063/1.468891)
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURES OF CLUSTERS
– J. Chem. Phys.
(1995)
103,
4234-4249
MAGIC NUMBERS AND GROWTH SEQUENCES OF SMALL FACE- CENTERED-CUBIC AND DECAHEDRAL CLUSTERS
– Chem. Phys. Lett.
(1995)
247,
339-347
POTENTIAL-ENERGY SURFACES OF VAN-DER-WAALS COMPLEXES OF WATER AND HYDROGEN HALIDES MODELED USING DISTRIBUTED MULTIPOLES
– J. Chem. Phys.
(1995)
102,
5551-5565
POTENTIAL-ENERGY SURFACES OF SEVERAL VAN-DER-WAALS COMPLEXES MODELED USING DISTRIBUTED MULTIPOLES
– Chem. Phys. Lett.
(1995)
240,
89-96
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
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
– J. Chem. Phys.
(1995)
102,
1592-1596
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
– Physical review. B, Condensed matter
(1994)
50,
12342
(doi: 10.1103/PhysRevB.50.12342)
REARRANGEMENTS OF 55-ATOM LENNARD-JONES AND (C-60)(55) CLUSTERS
– The Journal of Chemical Physics
(1994)
101,
3750
(doi: 10.1063/1.467559)
Free energy barriers to melting in atomic clusters
– The Journal of Chemical Physics
(1994)
101,
1460
(doi: 10.1063/1.467771)
Transition vector symmetry and the internal pseudo-rotation and inversion paths of CIF4+
– Physical Chemistry Chemical Physics
(1994)
90,
1831
(doi: 10.1039/FT9949001831)
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)
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
– Chem. Phys. Lett.
(1994)
217,
302
(doi: 10.1016/0009-2614(93)e1387-v)
TRANSITION VECTOR SYMMETRY AND THE INTERNAL PSEUDO- ROTATION AND INVERSION PATHS OF CLF4+
– \jcsft
(1994)
90,
1831-1837
Free energy barriers to melting in atomic clusters
– The Journal of Chemical Physics
(1994)
101,
1460
(doi: 10.1063/1.467771)
REARRANGEMENTS OF 55-ATOM LENNARD-JONES AND (C-60)(55) CLUSTERS
– J. Chem. Phys.
(1994)
101,
3750-3762
