Department of Chemistry

David J Wales Publications (2003)


Stationary points and dynamics in high-dimensional systems
Wales DJ, Doye JPK
J CHEM PHYS, 2003, 23, 12409-12416. DOI: 10.1063/1.1625644


The free energy landscape and dynamics of met-enkephalin
Evans DA, Wales DJ
J CHEM PHYS, 2003, 18, 9947-9955. DOI: 10.1063/1.1616515


Global minima for rare gas clusters containing one alkali metal ion
Hernandez-Rojas J, Wales DJ
J CHEM PHYS, 2003, 15, 7800-7804. DOI: 10.1063/1.1608852


Density effects in a bulk binary Lennard-Jones system
Hernandez-Rojas J, Wales DJ
PHYS REV B, 2003, 14, -. DOI: 10.1103/PhysRevB.68.144202


Ab initio study of rearrangements between C-60 fullerenes
Kumeda Y, Wales DJ
CHEM PHYS LETT, 2003, 01-Feb, 125-131. DOI: 10.1016/S0009-2614(03)00668-7


Theoretical study of finite-temperature spectroscopy in van der Waals clusters. II. Time-dependent absorption spectra
Calvo F, Spiegelman F, Wales DJ
J CHEM PHYS, 2003, 19, 8754-8762. DOI: 10.1063/1.1566951


"Comment on ""Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids"" [J. Chem. Phys. 116, 10297 (2002)]"
Doye JPK, Wales DJ
J CHEM PHYS, 2003, 11, 5263-5264. DOI: 10.1063/1.1553754


Energy landscapes of model glasses. II. Results for constant pressure
Middleton TF, Wales DJ
J CHEM PHYS, 2003, 10, 4583-4593. DOI: 10.1063/1.1545096


Free energy landscapes of model peptides and proteins
Evans DA, Wales DJ
J CHEM PHYS, 2003, 8, 3891-3897. DOI: 10.1063/1.1540099


The favored cluster structures of model glass formers
Doye JPK, Wales DJ, Zetterling FHM, Dzugutov M
J CHEM PHYS, 2003, 6, 2792-2799. DOI: 10.1063/1.1534831


Exploring energy landscapes with Monte Carlo methods
Wales DJ, Hernandez-Rojas J
MONTE CARLO METHOD IN THE PHYSICAL SCIENCES, 2003, 334-343.


Energy Landscapes
Wales DJ
, 2003, -.