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- Currently displaying 381 - 400 of 704 publications
Theory of C2Hx species on Pt{110} (1x2):: Reaction pathways for dehydrogenation
The Journal of Chemical Physics
(2007)
126
044710
(doi: 10.1063/1.2429068)
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
Eur. Phys. J. D
(2007)
43
57-60
Thermodynamics and Kinetics of Aggregation for the GNNQQNY Peptide.
J. Amer. Chem. Soc.
(2007)
129
16005-16014
Structure and dynamics of spherical crystals characterized for the Thomson problem
Physical Review B Condensed Matter and Materials Physics
(2006)
74
212101
(doi: 10.1103/PhysRevB.74.212101)
Thermodynamics of water octamer in a uniform electric field
The Journal of chemical physics
(2006)
125
224302
(doi: 10.1063/1.2400853)
Potential energy and free energy landscapes.
The journal of physical chemistry. B
(2006)
110
20765
(doi: 10.1021/jp0680544)
Correlation effects and super-Arrhenius diffusion in binary Lennard-Jones mixtures (12 pages).
Phys. Rev. B
(2006)
74
134202
(doi: 10.1103/physrevb.74.134202)
PHYS 50-Discrete path sampling analysis of mechanisms and rates
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
232
Coexistence in small inert gas clusters
Molecular Physics
(2006)
78
151-171
(doi: 10.1080/00268979300100141)
Structure and energetics of model symmetric and asymmetric decahedra
Philosophical Magazine B
(2006)
65
1079
(doi: 10.1080/13642819208217922)
Graph transformation method for calculating waiting times in Markov chains
The Journal of chemical physics
(2006)
124
234110
(doi: 10.1063/1.2198806)
Global Potential Energy Minima of C60(H2O) n Clusters
J Phys Chem B
(2006)
110
13357
(doi: 10.1021/jp0572582)
Kinetic analysis of discrete path sampling stationary point databases
Molecular Physics
(2006)
104
1497
(doi: 10.1080/00268970600556659)
Theory of C2H x Species on Pt{110}(1 × 2): Structure, Stability, and Thermal Chemistry
Journal of Physical Chemistry B
(2006)
110
4147
(doi: 10.1021/jp055128n)
Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect.
Phys Rev Lett
(2006)
96
057802
Equilibrium thermodynamics from basin-sampling
Journal of Chemical Physics
(2006)
124
044102
(doi: 10.1063/1.2148958)
Thermodynamics of water octamer in a uniform electric field (5 pages).
J. Chem. Phys.
(2006)
125
224302
Correlation effects and super-Arrhenius diffusion in binary Lennard- Jones mixtures (12 pages).
Phys. Rev. Lett.
(2006)
96
057802
Potential Energy and Free Energy Landscapes.
J. Phys. Chem. B
(2006)
110
20765-20776
