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- Currently displaying 381 - 400 of 709 publications
Comparison of double-ended transition state search methods.
Journal of Chemical Physics
(2007)
127
134102
(doi: 10.1063/1.2767621)
Helix self-assembly from anisotropic molecules.
Physical Review Letters
(2007)
99
086106
Exploring energy landscapes with explicit and implicit water
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Equilibrium density of states and thermodynamic properties of a model glass former
The Journal of Chemical Physics
(2007)
127
044508
(doi: 10.1063/1.2749725)
Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
The European Physical Journal D
(2007)
43
57
(doi: 10.1140/epjd/e2007-00092-x)
Energy landscapes for water clusters in a uniform electric field.
The 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
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.
Phys. Rev. B
(2006)
74
212101
(doi: 10.1103/physrevb.74.212101)
Thermodynamics of water octamer in a uniform electric field.
J Chem Phys
(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
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
(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 C-60(H2O)(n) clusters
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)
