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- Currently displaying 481 - 500 of 695 publications
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 - art. no. 235409
Physical Review B
(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
(2001)
293
2067
(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)
8711
119301
Connections between structure, thermodynamics, and dynamics of finite systems and bulk material.
ABSTR PAP AM CHEM S
(2001)
222
U190
Energy landscapes of some model glass formers
Physical Review B Condensed Matter and Materials Physics
(2001)
6402
024205
(doi: 10.1103/physrevb.64.024205)
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 - art. no. 214204
Physical Review B Condensed Matter and Materials Physics
(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 $\rm Ac(ala)_8NHMe$
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
Energy Landscapes
(2001)
Les Houches Session LXXIII
437
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: Flirting with Catastrophe
Sci.
(2001)
293
201-3
