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- Currently displaying 401 - 420 of 689 publications
Pathways for dissociative methane chemisorption onPt{110}−(1×2)
Physical Review B
(2005)
71
113410
(doi: 10.1103/physrevb.71.113410)
Stacked clusters of polycyclic aromatic hydrocarbon molecules.
Journal of Physical Chemistry A
(2005)
109
2487
(doi: 10.1021/jp046745z)
How many dimensions are required to approximate the potential energy landscape of a model protein?
The Journal of Chemical Physics
(2005)
122
84714
(doi: 10.1063/1.1854123)
Discussion
PHILOS T ROY SOC A
(2005)
363
375
Stacked Clusters of Polycyclic Aromatic Hydrocarbon Molecules
J. Phys. Chem. A
(2005)
109
2487-2497
Discussion
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2005)
363
375
Pathways for dissociative ethane chemisorption on Pt110 (1x2) using density functional theory
Chem. Phys. Lett.
(2005)
413
289-293
An ab initio study of tunneling splittings in the water trimer (7 pages)
J. Chem. Phys.
(2005)
123
044302
Energy Landscapes, SelfâAssembly and Viruses
Journal of Theoretical Medicine
(2005)
6
107
(doi: 10.1080/10273660500149570)
Novel Structural Motifs in Clusters of Dipolar Spheres: Knots, Links, and Coils
J. Phys. Chem. B
(2005)
109
23109-23112
Lowest-energy structures of (C60)nX (X=Li +,Na+,K+,Cl-) and (C 60)nYCl (Y=Li,Na,K) clusters for n≤13
J Chem Phys
(2004)
121
12315
(doi: 10.1063/1.1819894)
Archetypal energy landscapes: Dynamical diagnosis - art. no. 024103
J. Chem. Phys.
(2004)
122
024103
(doi: 10.1063/1.1829633)
The energy landscape as a unifying theme in molecular science
Phil. Trans. Roy. Soc. A
(2004)
363
357
(doi: 10.1098/rsta.2004.1497)
Effect of salt bridges on the energy landscape of a model protein.
The Journal of Chemical Physics
(2004)
121
10284-10290
(doi: 10.1063/1.1810471)
Analysis of cooperativity and localization for atomic rearrangements
J Chem Phys
(2004)
121
6689
(doi: 10.1063/1.1794653)
Folding of the GB1 hairpin peptide from discrete path sampling
J. Chem. Phys.
(2004)
121
1080-1090
(doi: 10.1063/1.1759317)
New results for phase transitions from catastrophe theory.
Journal of Chemical Physics
(2004)
120
11090
(doi: 10.1063/1.1740756)
Supercooled Lennard-Jones liquids and glasses: A kinetic Monte Carlo approach
Journal of Non Crystalline Solids
(2004)
336
218
Some further applications of discrete path sampling to cluster isomerization
Molecular Physics
(2004)
102
891
(doi: 10.1080/00268970410001703363)
