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- Currently displaying 481 - 500 of 688 publications
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
(2001)
6321
214204
(doi: 10.1103/PhysRevB.63.214204)
Quantum partition functions from classical distributions: Application to rare-gas clusters
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.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2001)
221
U397
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
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
Potential energy surfaces and coordinate dependence
Journal of Chemical Physics
(2000)
113
3926
(doi: 10.1063/1.1288003)
Global minima of protonated water clusters
Chemical Physics Letters
(2000)
324
279-288
Molecule-doped rare gas clusters: structure and stability of ArnNO(X (2)Pi(1/2,3/2)), n <= 25, from new ab initio potential energy surfaces of ArNO
Mol. Phys.
(2000)
98
219
(doi: 10.1080/00268970009483285)
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)
Evolution of the potential energy surface with size for Lennard-Jones clusters
J. Chem. Phys.
(1999)
111
8417
(doi: 10.1063/1.480217)
Rearrangements and tunneling splittings of protonated water trimer
The Journal of Chemical Physics
(1999)
111
8429
(doi: 10.1063/1.480183)
