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 281 - 300 of 689 publications
Exploring the energy landscape
International Journal of Modern Physics B
(2012)
19
2877
(doi: 10.1142/S0217979205031857)
Conformational dynamics of capping protein and interaction partners: simulation studies.
Proteins Structure Function and Bioinformatics
(2012)
80
1066
(doi: 10.1002/prot.24008)
Energy landscapes of ion clusters in isotropic quadrupolar and octupolar traps
J Chem Phys
(2012)
136
024303
(doi: 10.1063/1.3673318)
Enzyme catalysis from linear-scaling DFT: Application to chorismate mutase
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
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)
H-2 Molecules Encapsulated in Extended Be-n 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
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.
The Journal of chemical physics
(2011)
135
124109
(doi: 10.1063/1.3640429)
Interplay between charge and vibrational delocalization in cationic helium clusters
J Chem Phys
(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
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 Ne n +; clusters from a diatomics-in-molecules approach
Molecular Physics
(2010)
93
633
(doi: 10.1080/002689798168970)
