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- Currently displaying 501 - 520 of 703 publications
Energy Landscapes, Global Optimisation and Dynamics of the Polyalanine $\rm Ac(ala)_8NHMe$
J. Chem. Phys.
(2001)
114
6443
(doi: 10.1063/1.1343486)
Energy landscapes: From clusters to biomolecules.
ABSTR PAP AM CHEM S
(2001)
221
U397
Polytetrahedral Clusters
Phys. Rev. Lett.
(2001)
86
5719-5722
Energy Landscapes
(2001)
Les Houches Session LXXIII
437
ENERGY LANDSCAPES: Flirting with Catastrophe
Sci.
(2001)
293
201-3
Taking a Walk on a Landscape
Science
(2001)
293
612
Quantum partition functions from classical distributions: Application to rare-gas clusters
J. Chem. Phys.
(2001)
114
7312-7329
Transition States and Rearrangement Mechanisms from Hybrid Eigenvector-Following and Density Functional Theory. Application to C10H10 and Defect Migration in Crystalline Silicon
Chem. Phys. Lett.
(2001)
341
185-194
Potential energy surfaces and coordinate dependence
The Journal of Chemical Physics
(2000)
113
3926
(doi: 10.1063/1.1288003)
Global minima of protonated water clusters
Chem. Phys. Lett.
(2000)
324
279
Potential energy surfaces and coordinate dependence
J. Chem. Phys.
(2000)
113
3926-3927
The dynamics of structural transitions in sodium chloride clusters
The Journal of Chemical Physics
(1999)
111
11070
(doi: 10.1063/1.480465)
Rearrangements and tunneling splittings of protonated water trimer
The Journal of Chemical Physics
(1999)
111
8429
(doi: 10.1063/1.480183)
Evolution of the potential energy surface with size for Lennard-Jones clusters
J. Chem. Phys.
(1999)
111
8417
(doi: 10.1063/1.480217)
Energy landscape of a model protein
The Journal of Chemical Physics
(1999)
111
6610
(doi: 10.1063/1.480011)
Structural relaxation in atomic clusters: master equation dynamics.
\pre
(1999)
60
3701
(doi: 10.1103/physreve.60.3701)
Global optimization of clusters, crystals, and biomolecules.
Science (New York, N.Y.)
(1999)
285
1368
Rearrangements and tunneling splittings of protonated water dimer
Journal of Chemical Physics
(1999)
110
10403
(doi: 10.1063/1.478972)
The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
The Journal of Chemical Physics
(1999)
110
6896
(doi: 10.1063/1.478595)
Defect migration in crystalline silicon
Physical Review B
(1999)
59
3969
(doi: 10.1103/physrevb.59.3969)
