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- Currently displaying 481 - 500 of 689 publications
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.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2001)
221
U397
ENERGY LANDSCAPES: Flirting with Catastrophe
Sci.
(2001)
293
201-3
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
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
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
Molecule-doped rare gas clusters: structure and stability of ArnNO(X 2Π1/2/3/2), n ≤ 25, from new ab initio potential energy surfaces of ArNO
Molecular Physics
(2000)
98
219
(doi: 10.1080/00268970009483285)
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
219-229
Rearrangements and tunneling splittings in small water clusters
RECENT THEORETICAL AND EXPERIMENTAL ADVANCES IN HYDROGEN BONDED CLUSTERS
(2000)
561
201
Potential energy surfaces and coordinate dependence
J. Chem. Phys.
(2000)
113
3926-3927
The dynamics of structural transitions in sodium chloride clusters
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)
Structural relaxation in atomic clusters: master equation dynamics.
\pre
(1999)
60
3701
(doi: 10.1103/physreve.60.3701)
