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- Currently displaying 501 - 520 of 704 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.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2001)
221
U397
ENERGY LANDSCAPES: Flirting with Catastrophe
Sci.
(2001)
293
201-3
Taking a Walk on a Landscape
Science
(2001)
293
612
Polytetrahedral Clusters
Phys. Rev. Lett.
(2001)
86
5719-5722
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
Energy Landscapes
(2001)
Les Houches Session LXXIII
437
Quantum partition functions from classical distributions: Application to rare-gas clusters
J. Chem. Phys.
(2001)
114
7312-7329
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
279-288
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
Journal of Chemical Physics
(1999)
111
8417-8428
(doi: 10.1063/1.480217)
Energy landscape of a model protein
The Journal of Chemical Physics
(1999)
111
6610-6616
(doi: 10.1063/1.480011)
Structural relaxation in atomic clusters: master equation dynamics.
Physical Review E Statistical Physics Plasmas Fluids and Related Interdisciplinary Topics
(1999)
60
3701
(doi: 10.1103/physreve.60.3701)
Review: Chemistry - Global optimization of clusters, crystals, and biomolecules
Science (New York, N.Y.)
(1999)
285
1368
Rearrangements and tunneling splittings of protonated water dimer
The Journal of Chemical Physics
(1999)
110
10403
(doi: 10.1063/1.478972)
The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
Journal of Chemical Physics
(1999)
110
6896
(doi: 10.1063/1.478595)
Defect migration in crystalline silicon
Phys. Rev. B
(1999)
59
3969-3980
(doi: 10.1103/physrevb.59.3969)
