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  • Currently displaying 301 - 320 of 703 publications
Author(s)
Publication title
Journal Name
Publication year
Energy landscapes of ion clusters in isotropic quadrupolar and octupolar traps
F Calvo, E Yurtsever, DJ Wales
Journal of Chemical Physics
(2012)
136
Characterizing molecular motion in H2O and H3O+ with dynamical instability statistics.
JR Green, TS Hofer, RS Berry, DJ Wales
The Journal of Chemical Physics
(2011)
135
A survey of the potential energy surface for the (benzene)(13) cluster
D Chakrabarti, TS Totton, M Kraft, DJ Wales
Physical chemistry chemical physics : PCCP
(2011)
13
H2 Molecules Encapsulated in Extended Ben Cluster Cages: Toward Light-Metal Nanofoams for Hydrogen Storage
FY Naumkin, DJ Wales
The Journal of Physical Chemistry A
(2011)
115
Mode-Specific Chemisorption of CH4 on Pt{110}-(1 × 2) Explored by First-Principles Molecular Dynamics
M Sacchi, DJ Wales, SJ Jenkins
Journal of Physical Chemistry C
(2011)
115
Energy landscapes of colloidal clusters: Thermodynamics and rearrangement mechanisms
F Calvo, JPK Doye, DJ Wales
Nanoscale
(2011)
4
Instanton calculations of tunneling splittings for water dimer and trimer.
JO Richardson, SC Althorpe, DJ Wales
The Journal of Chemical Physics
(2011)
135
Interplay between charge and vibrational delocalization in cationic helium clusters.
F Calvo, FY Naumkin, DJ Wales
The Journal of chemical physics
(2011)
135
Physical properties of small water clusters in low and moderate electric fields.
S Acosta-Gutiérrez, J Hernández-Rojas, J Bretón, JMG Llorente, DJ Wales
Journal of Chemical Physics
(2011)
135
Energy landscape and global optimization for a frustrated model protein.
MT Oakley, DJ Wales, RL Johnston
The Journal of Physical Chemistry B
(2011)
115
Dissociative chemisorption of hydrazine on an Fe{211} surface
HL McKay, SJ Jenkins, DJ Wales
Journal of Physical Chemistry C
(2011)
115
Modelling proteins: Conformational sampling and reconstruction of folding kinetics
K Klenin, B Strode, DJ Wales, W Wenzel
Biochimica et Biophysica Acta - Proteins and Proteomics
(2011)
1814
COLLOIDAL SELF-ASSEMBLY Designed to yield
D Frenkel, DJ Wales
Nature Materials
(2011)
10
Self-assembly of anisotropic particles
SN Fejer, D Chakrabarti, DJ Wales
Soft Matter
(2011)
7
Coupled linear and rotary motion in supramolecular helix handedness inversion
D Chakrabarti, DJ Wales
Soft Matter
(2011)
7
Chapter 3. Self-Assembly of Nanoclusters: An Energy Landscape Perspective
D Chakrabarti, SN Fejer, DJ Wales
(2011)
4
Structure, rearrangements and evaporation of rotating atomic clusters
MA MILLER, DJ WALES
Molecular Physics
(2010)
89
Structure and properties of Nen+ clusters from a diatomics-in-molecules approach
FY NAUMKIN, DJ WALES
Molecular Physics
(2010)
93
Energy Landscapes and Structure Prediction Using Basin-Hopping
DJ Wales
(2010)
Virulence-associated substitution D222G in the hemagglutinin of 2009 pandemic influenza A(H1N1) virus affects receptor binding
S Chutinimitkul, S Herfst, J Steel, AC Lowen, J Ye, D van Riel, EJA Schrauwen, TM Bestebroer, B Koel, DF Burke, KH Sutherland-Cash, CS Whittleston, CA Russell, DJ Wales, DJ Smith, M Jonges, A Meijer, M Koopmans, GF Rimmelzwaan, T Kuiken, ADME Osterhaus, A García-Sastre, DR Perez, RAM Fouchier
Journal of virology
(2010)
84

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