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- Currently displaying 421 - 440 of 700 publications
Discussion
PHILOS T ROY SOC A
(2005)
363
375
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
Novel Structural Motifs in Clusters of Dipolar Spheres: Knots, Links, and Coils
J. Phys. Chem. B
(2005)
109
23109-23112
Stacked Clusters of Polycyclic Aromatic Hydrocarbon Molecules
J. Phys. Chem. A
(2005)
109
2487-2497
Energy landscapes, self-assembly and viruses
Computational and Mathematical Methods in Medicine
(2005)
6
107
(doi: 10.1080/10273660500149570)
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. Series 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
J Chem Phys
(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.
The Journal of chemical physics
(2004)
120
8134
(doi: 10.1063/1.1690241)
A coarse-graining of energy landscape of proteins - Structural stability of the most stable states
AIP Conference Proceedings
(2004)
708
344
(doi: 10.1063/1.1764167)
An ab initio study of tunneling splittings in the water dimer
The Journal of Chemical Physics
(2004)
120
5993
(doi: 10.1063/1.1651058)
