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- Currently displaying 421 - 440 of 703 publications
Stacked clusters of polycyclic aromatic hydrocarbon molecules.
J Phys Chem A
(2005)
109
2487
(doi: 10.1021/jp046745z)
How many dimensions are required to approximate the potential energy landscape of a model protein? (9 pages)
J. Chem. Phys.
(2005)
122
84714
(doi: 10.1063/1.1854123)
Discussion
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2005)
363
375
Discussion
PHILOS T ROY SOC A
(2005)
363
375
Novel Structural Motifs in Clusters of Dipolar Spheres: Knots, Links, and Coils
J. Phys. Chem. B
(2005)
109
23109-23112
An ab initio study of tunneling splittings in the water trimer (7 pages)
J. Chem. Phys.
(2005)
123
044302
Pathways for dissociative ethane chemisorption on Pt110 (1x2) using density functional theory
Chem. Phys. Lett.
(2005)
413
289-293
Energy Landscapes, Self‐Assembly and Viruses
Journal of Theoretical Medicine
(2005)
6
107
(doi: 10.1080/10273660500149570)
Stacked Clusters of Polycyclic Aromatic Hydrocarbon Molecules
J. Phys. Chem. A
(2005)
109
2487-2497
Lowest-energy structures of (C60)nX (X=Li+,Na+,K+,Cl-) and (C60)nYCl (Y=Li,Na,K) clusters for n
The Journal of chemical physics
(2004)
121
12315
(doi: 10.1063/1.1819894)
Archetypal energy landscapes: Dynamical diagnosis
J Chem Phys
(2004)
122
024103
(doi: 10.1063/1.1829633)
The energy landscape as a unifying theme in molecular science.
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
(2004)
363
357-377
(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
(doi: 10.1063/1.1810471)
Analysis of cooperativity and localization for atomic rearrangements.
The Journal of Chemical Physics
(2004)
121
6689
(doi: 10.1063/1.1794653)
Folding of the GB1 hairpin peptide from discrete path sampling
The Journal of Chemical Physics
(2004)
121
1080
(doi: 10.1063/1.1759317)
New results for phase transitions from catastrophe theory.
The 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)
Comparison of kinetic Monte Carlo and molecular dynamics simulations of diffusion in a model glass former.
J. Chem. Phys.
(2004)
120
8134-8143
(doi: 10.1063/1.1690241)
