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- Currently displaying 361 - 380 of 689 publications
Energy landscapes: from clusters to biomolecules
ADVANCES IN CHEMICAL PHYSICS, VOLUME 115
(2007)
115
1-111
(doi: 10.1002/9780470141748.ch1)
Energy landscapes for water clusters in a uniform electric field.
J. Chem. Phys.
(2007)
126
054506
(doi: 10.1063/1.2429659)
Theory of C2Hx species on Pt{110} (1x2):: Reaction pathways for dehydrogenation
Journal of Chemical Physics
(2007)
126
044710
(doi: 10.1063/1.2429068)
Thermodynamics and Kinetics of Aggregation for the GNNQQNY Peptide.
J. Amer. Chem. Soc.
(2007)
129
16005-16014
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
Eur. Phys. J. D
(2007)
43
57-60
Structure and dynamics of spherical crystals characterized for the Thomson problem.
Phys. Rev. B
(2006)
74
212101
(doi: 10.1103/physrevb.74.212101)
Thermodynamics of water octamer in a uniform electric field.
Journal of Chemical Physics
(2006)
125
224302
(doi: 10.1063/1.2400853)
Potential energy and free energy landscapes.
Journal of Physical Chemistry B
(2006)
110
20765
(doi: 10.1021/jp0680544)
Correlation effects and super-Arrhenius diffusion in binary Lennard-Jones mixtures
Physical Review B
(2006)
74
134202
(doi: 10.1103/PhysRevB.74.134202)
PHYS 50-Discrete path sampling analysis of mechanisms and rates
ABSTR PAP AM CHEM S
(2006)
232
Structure and energetics of model symmetric and asymmetric decahedra
Philosophical Magazine B Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties
(2006)
65
1079
(doi: 10.1080/13642819208217922)
Graph transformation method for calculating waiting times in Markov chains
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: 10.1080/002689700600556659)
Theory of C2Hx 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
Physical review letters
(2006)
96
057802
Equilibrium thermodynamics from basin-sampling.
The Journal of chemical physics
(2006)
124
044102
(doi: 10.1063/1.2148958)
Theory of C 2H x Species on Pt110(1 x 2): Structure, Stability, and Thermal Chemistry.
J. Phys. Chem. B
(2006)
110
4147-4156
Thermodynamics of water octamer in a uniform electric field (5 pages).
J. Chem. Phys.
(2006)
125
224302
