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- Currently displaying 481 - 500 of 700 publications
Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes
The Journal of Chemical Physics
(2002)
116
2642
(doi: 10.1063/1.1435572)
Global optimization and the energy landscapes of Dzugutov clusters
Faraday Discuss
(2002)
118
159
(doi: 10.1039/b008881l)
Energy landscapes: An overview
Materials Research Society Symposium Proceedings
(2002)
700
271
The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide
J. Chem. Phys.
(2002)
117
10688-10702
Characterization of Anharmonicities on Complex Potential Energy Surfaces: Perturbation Theory and Simulation
The Journal of Chemical Physics
(2001)
115
9627
(doi: 10.1063/1.1415462)
Modeling the structure of clusters of C60 molecules
Physical Review B Condensed Matter and Materials Physics
(2001)
64
2354091
(doi: 10.1103/PhysRevB.64.235409)
Crystals of binary Lennard-Jones solids
Physical Review B
(2001)
6418
184201
(doi: 10.1103/PhysRevB.64.184201)
A microscopic basis for the global appearance of energy landscapes
Science (New York, N.Y.)
(2001)
293
2067-2069
(doi: 10.1126/science.1062565)
Comment on "effect of potential energy distribution on the melting of clusters"
Physical Review Letters
(2001)
87
119301/1
Comment on “effect of potential energy distribution on the melting of clusters”
Physical review letters
(2001)
87
119301
Connections between structure, thermodynamics, and dynamics of finite systems and bulk material.
ABSTR PAP AM CHEM S
(2001)
222
U190
Statistical thermodynamics: Taking a walk on a landscape
Science (New York, N.Y.)
(2001)
293
612
(doi: 10.1126/science.1062559)
Transition states and rearrangement mechanisms from hybrid eigenvector-following and density functional theory. Application to C10H10 and defect migration in crystalline silicon
Chemical Physics Letters
(2001)
341
185
Dynamics and Thermodynamics of Supercooled Liquids and Glasses from a Model Energy Landscape
Physical Review B
(2001)
63
214204
(doi: 10.1103/PhysRevB.63.214204)
Quantum partition functions from classical distributions: Application to rare-gas clusters
The Journal of Chemical Physics
(2001)
114
7312
(doi: 10.1063/1.1359768)
Energy Landscapes, Global Optimisation and Dynamics of the Polyalanine $\rm Ac(ala)_8NHMe$
The Journal of Chemical Physics
(2001)
114
6443
(doi: 10.1063/1.1343486)
Energy landscapes: From clusters to biomolecules.
ABSTR PAP AM CHEM S
(2001)
221
U397
Quantum partition functions from classical distributions: Application to rare-gas clusters
J. Chem. Phys.
(2001)
114
7312-7329
