Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 441 - 460 of 688 publications
Author(s)
Publication title
Journal Name
Publication year
Comment on "Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids" [J. Chem. Phys. 116, 10297 (2002)] (multiple letters)
JPK Doye, DJ Wales
The Journal of Chemical Physics
(2003)
118
Energy landscapes of model glasses. II. Results for constant pressure
TF Middleton, DJ Wales
The Journal of Chemical Physics
(2003)
118
Free energy landscapes of model peptides and proteins
DA Evans, DJ Wales
The Journal of Chemical Physics
(2003)
118
The favored cluster structures of model glass formers
JPK Doye, DJ Wales, FHM Zetterling, M Dzugutov
The Journal of Chemical Physics
(2003)
118
Theoretical study of finite-temperature spectroscopy in CaAr$_n$ clusters. II. Time-dependent absorption spectra
F Calvo, F Spiegelman, DJ Wales
J. Chem. Phys.
(2003)
118
Energy Landscapes
DJ Wales
(2003)
Ab initio study of rearrangements between C60 fullerenes
Y Kumeda, DJ Wales
Chem. Phys. Lett.
(2003)
374
The free energy landscape and dynamics of met-enkephalin
DA Evans, DJ Wales
J. Chem. Phys.
(2003)
119
Stationary points and dynamics in high-dimensional systems
DJ Wales, JPK Doye
J. Chem. Phys.
(2003)
119
The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide
BC Dian, A Longarte, S Mercier, DA Evans, DJ Wales, TS Zwier
The Journal of Chemical Physics
(2002)
117
Equilibrium properties of clusters in the harmonic superposition approximation
F Calvo, JPK Doye, DJ Wales
Chem. Phys. Lett.
(2002)
366
Bifurcation tunneling dynamics in the water trimer
FN Keutsch, RJ Saykally, DJ Wales
Journal of Chemical Physics
(2002)
117
Discrete path sampling
DJ WALES
Mol. Phys.
(2002)
100
Theoretical study of rearrangements in water dimer and trimer
T TAKETSUGU, DJ WALES
Molecular Physics
(2002)
100
Energy landscapes of model polyalanines
PN Mortenson, DA Evans, DJ Wales
J. Chem. Phys.
(2002)
117
Theoretical study of water trimer
DJ Wales
Journal of the American Chemical Society
(2002)
115
Empirical Correlations between Thermodynamic Properties and Intermolecular Forces
MS Westwell, MS Searle, DJ Wales, DH Williams
\jacs
(2002)
117
Bonding in transition-metal clusters
DJ Wales, AJ Stone
Inorganic Chemistry
(2002)
28
Balanced geometries and structural trends in covalent, ionic, and van der Waals clusters
DJ Wales
Journal of the American Chemical Society
(2002)
112
GRADIENT LINE REACTION-PATH FOR AN S(N)2 REACTION AT NEUTRAL NITROGEN
RM Minyaev, DJ Wales
Journal of Physical Chemistry
(2002)
98

Upcoming Events

Energy Landscapes 2026 Telluride

Click on an image to view animations from Energy Landscapes of Model Knotted Polymers, Journal of Chemical Theory and Computation, Tongfan Hao, Yinghao Ge, Mark A. Miller, Agustin L. N. Francesco, David J. Wales, DOI 10.1021/acs.jctc.5c01005

composite knot

link knot