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- Currently displaying 361 - 380 of 688 publications
Exploring energy landscapes with explicit and implicit water
ABSTR PAP AM CHEM S
(2007)
234
Equilibrium density of states and thermodynamic properties of a model glass former (11 pages).
J. Chem. Phys.
(2007)
127
044508
(doi: 10.1063/1.2749725)
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
European Physical Journal D
(2007)
43
57
(doi: 10.1140/epjd/e2007-00092-x)
Energy landscapes for water clusters in a uniform electric field
Journal of Chemical Physics
(2007)
126
054506
(doi: 10.1063/1.2429659)
Theory of C2Hx species on Pt{110} (1×2): Reaction pathways for dehydrogenation
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
(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.
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).
Physical Review B Condensed Matter and Materials Physics
(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
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 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
The Journal of Chemical Physics
(2006)
124
234110
(doi: 10.1063/1.2198806)
Global Potential Energy Minima of C60(H2O)n Clusters
The journal of physical chemistry. 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
J Phys Chem 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
