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- Currently displaying 301 - 320 of 704 publications
Conformational dynamics of capping protein and interaction partners: simulation studies.
Proteins
(2012)
80
1066
(doi: 10.1002/prot.24008)
Energy landscapes of ion clusters in isotropic quadrupolar and octupolar traps.
The Journal of Chemical Physics
(2012)
136
024303
(doi: 10.1063/1.3673318)
Characterizing molecular motion in H2O and H3O+ with dynamical instability statistics
J Chem Phys
(2011)
135
184307
(doi: 10.1063/1.3658642)
A survey of the potential energy surface for the (benzene)13 cluster.
Physical Chemistry Chemical Physics
(2011)
13
21362
(doi: 10.1039/c1cp22220a)
H2 molecules encapsulated in extended Ben cluster cages: Toward light-metal nanofoams for hydrogen storage
Journal of Physical Chemistry A
(2011)
115
12105
(doi: 10.1021/jp206869g)
Mode-Specific Chemisorption of CH4 on Pt{110}-(1 × 2) Explored by First-Principles Molecular Dynamics
The Journal of Physical Chemistry C
(2011)
115
21832
(doi: 10.1021/jp207746q)
Energy landscapes of colloidal clusters: Thermodynamics and rearrangement mechanisms
Nanoscale
(2011)
4
1085
(doi: 10.1039/c1nr10679a)
Instanton calculations of tunneling splittings for water dimer and trimer.
Journal of Chemical Physics
(2011)
135
124109
(doi: 10.1063/1.3640429)
Interplay between charge and vibrational delocalization in cationic helium clusters.
Journal of Chemical Physics
(2011)
135
124308
(doi: 10.1063/1.3641895)
Physical properties of small water clusters in low and moderate electric fields
The 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
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)
Self-Assembly of Nanoclusters: An Energy Landscape Perspective
(2011)
4
58
(doi: 10.1039/9781849732680-00058)
Structure and properties of Nen+ 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)
