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  • Currently displaying 301 - 320 of 694 publications
Author(s)
Publication title
Journal Name
Publication year
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
The 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
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 and properties of Ne n +; clusters from a diatomics-in-molecules approach
FY NAUMKIN, DJ WALES
Molecular Physics
(2010)
93
Structure, rearrangements and evaporation of rotating atomic clusters
MA MILLER, DJ WALES
Molecular Physics
(2010)
89
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
J Virol
(2010)
84
Transmembrane Structures for Alzheimer’s Aβ1−42 Oligomers
B Strodel, JWL Lee, CS Whittleston, DJ Wales
Journal of the American Chemical Society
(2010)
132
Effect of hydrogen bonding on the dynamical stability of water clusters
JR Green, TS Hofer, DJ Wales
ABSTR PAP AM CHEM S
(2010)
240
Energy Landscapes of Clusters Bound by Short‐Ranged Potentials
DJ Wales
ChemPhysChem
(2010)
11
The energy landscape, folding pathways and the kinetics of a knotted protein.
MC Prentiss, DJ Wales, PG Wolynes
PLoS computational biology
(2010)
6
Modelling the internal structure of nascent soot particles
TS Totton, D Chakrabarti, AJ Misquitta, M Sander, DJ Wales, M Kraft
Combustion and Flame
(2010)
157
Hydrogen on graphene under stress: Molecular dissociation and gap opening
H McKay, DJ Wales, SJ Jenkins, JA Verges, PL de Andres
Physical Review B
(2010)
81

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