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- Currently displaying 321 - 340 of 700 publications
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
e1000835
(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 Condensed Matter and Materials Physics
(2010)
81
075425
(doi: 10.1103/physrevb.81.075425)
Interpolation schemes for peptide rearrangements.
Journal of Chemical Physics
(2010)
132
054101
(doi: 10.1063/1.3273617)
Symmetrization of the AMBER and CHARMM Force Fields
Journal of computational chemistry
(2010)
31
1402
(doi: 10.1002/jcc.21425)
Emergent Complexity from Simple Anisotropic Building Blocks: Shells, Tubes, and Spirals
ACS nano
(2010)
4
219
(doi: 10.1021/nn9013565)
Energy Landscapes: Some New Horizons
Curr. Op. Struct. Biol.
(2010)
20
3-10
Interpolation schemes for peptide rearrangements (9 pages).
J. Chem. Phys.
(2010)
132
054101
Rational design of helical architectures
Proceedings of the National Academy of Sciences
(2009)
106
20164
(doi: 10.1073/pnas.0906676106)
Global minima of transition metal clusters described by Finnis–Sinclair potentials: A comparison with semi-empirical molecular orbital theory
Philosophical Magazine
(2009)
89
3311
(doi: 10.1080/14786430903270668)
Stepwise melting of a model glass former under confinement.
Journal of Chemical Physics
(2009)
131
134504
(doi: 10.1063/1.3239468)
Rydberg excitations in rare gas clusters: structure and electronic spectra of Ar* n (3 ≤ n ≤ 25)
Molecular Physics
(2009)
96
1295
(doi: 10.1080/00268979909483074)
Molecule-doped rare gas clusters: structure and stability of ArnNO(X 2Π1/2,3/2), n ≤ 25, from new ab initio potential energy surfaces of ArNO
Molecular Physics
(2009)
98
219
(doi: 10.1080/002689700162649)
Molecule-doped rare gas clusters: structure and stability of ArnNO(X (2)Pi(1/2,3/2)), n <= 25, from new ab initio potential energy surfaces of ArNO
Molecular Physics
(2009)
98
219-229
(doi: 10.1080/00268970009483285)
Mechanisms for H2 Reduction on the PdO{101} Surface and the Pd{100}-(√5 × √5)R27°-O Surface Oxide
The Journal of Physical Chemistry C
(2009)
113
16757
(doi: 10.1021/jp904693t)
The kinetics and structure of protein energy landscape
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2009)
238
Theory of NHx +/- H Reactions on Fe{211}
Journal of Physical Chemistry C
(2009)
113
15274
(doi: 10.1021/jp9034248)
Defect motifs for spherical topologies
Physical Review B Condensed Matter and Materials Physics
(2009)
79
224115
(doi: 10.1103/physrevb.79.224115)
