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- Currently displaying 301 - 320 of 694 publications
Instanton calculations of tunneling splittings for water dimer and trimer.
The Journal of Chemical Physics
(2011)
135
124109
(doi: 10.1063/1.3640429)
Interplay between charge and vibrational delocalization in cationic helium clusters
The Journal of chemical physics
(2011)
135
124308
(doi: 10.1063/1.3641895)
Physical properties of small water clusters in low and moderate electric fields
Journal of Chemical Physics
(2011)
135
124303
(doi: 10.1063/1.3640804)
Energy landscape and global optimization for a frustrated model protein
The journal of physical chemistry. B
(2011)
115
11525
(doi: 10.1021/jp207246m)
Dissociative chemisorption of hydrazine on an Fe{211} surface
The Journal of Physical Chemistry C
(2011)
115
17812
(doi: 10.1021/jp202155w)
Modelling proteins: Conformational sampling and reconstruction of folding kinetics
Biochimica et Biophysica Acta - Proteins and Proteomics
(2011)
1814
977
(doi: 10.1016/j.bbapap.2010.09.006)
Coupled linear and rotary motion in supramolecular helix handedness inversion
Soft Matter
(2011)
7
2325
(doi: 10.1039/c0sm01507e)
Chapter 3. Self-Assembly of Nanoclusters: An Energy Landscape Perspective
(2011)
4
58
(doi: 10.1039/9781849732680-00058)
Structure and properties of Ne n +; clusters from a diatomics-in-molecules approach
Molecular Physics
(2010)
93
633
(doi: 10.1080/002689798168970)
Structure, rearrangements and evaporation of rotating atomic clusters
Molecular Physics
(2010)
89
533
(doi: 10.1080/002689796173895)
Energy Landscapes and Structure Prediction Using Basin‐Hopping
(2010)
29
(doi: 10.1002/9783527632831.ch2)
Virulence-Associated Substitution D222G in the Hemagglutinin of 2009 Pandemic Influenza A(H1N1) Virus Affects Receptor Binding
J Virol
(2010)
84
11802
(doi: 10.1128/JVI.01136-10)
Transmembrane Structures for Alzheimer’s Aβ1−42 Oligomers
Journal of the American Chemical Society
(2010)
132
13300
(doi: 10.1021/ja103725c)
Effect of hydrogen bonding on the dynamical stability of water clusters
ABSTR PAP AM CHEM S
(2010)
240
Energy Landscapes of Clusters Bound by Short‐Ranged Potentials
ChemPhysChem
(2010)
11
2491
(doi: 10.1002/cphc.201000233)
The energy landscape, folding pathways and the kinetics of a knotted protein.
PLoS computational biology
(2010)
6
30
(doi: 10.1371/journal.pcbi.1000835)
Modelling the internal structure of nascent soot particles
Combustion and Flame
(2010)
157
909
Hydrogen on graphene under stress: Molecular dissociation and gap opening
Physical Review B
(2010)
81
075425
(doi: 10.1103/physrevb.81.075425)




