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- Currently displaying 421 - 440 of 709 publications
Global minima and energetics of Li+(H2O), and Ca2+(H2O)n clusters for n≤20
Chem. Phys. Lett.
(2005)
412
23-28
(doi: 10.1016/j.cplett.2005.06.090)
Finite-size effects in the dynamics and thermodynamics of two-dimensional Coulomb clusters.
Phys. Rev. E
(2005)
72
026110
(doi: 10.1103/PhysRevE.72.026110)
An ab initio study of tunneling splittings in the water trimer
The Journal of chemical physics
(2005)
120
044302
(doi: 10.1063/1.1954768)
Global minima of (C-60)(n)Ca2+, (C-60)(n)F- and (C-60)(n)I- clusters
Chem. Phys. Lett.
(2005)
410
404
(doi: 10.1016/j.cplett.2005.05.075)
Finding pathways between distant local minima.
The Journal of chemical physics
(2005)
122
234903
(doi: 10.1063/1.1931587)
Publisher's Note: Pathways for dissociative methane chemisorption on Pt{110}-(1×2) [Phys. Rev. B 71, 113410 (2005)]
Physical Review B
(2005)
71
209902
(doi: 10.1103/physrevb.71.209902)
Protonated water clusters described by an empirical valence bond potential.
J. Chem. Phys.
(2005)
122
134306
(doi: 10.1063/1.1869987)
Pathways for dissociative methane chemisorption on Pt{110}-(1x2)
Physical Review B Condensed Matter and Materials Physics
(2005)
71
113410
(doi: 10.1103/physrevb.71.113410)
Stacked clusters of polycyclic aromatic hydrocarbon molecules
The 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? - art. no. 084714
The Journal of chemical physics
(2005)
122
084714
(doi: 10.1063/1.1854123)
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
Energy Landscapes, Self‐Assembly and Viruses
Journal of Theoretical Medicine
(2005)
6
107
(doi: 10.1080/10273660500149570)
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
Pathways for dissociative ethane chemisorption on Pt110 (1x2) using density functional theory
Chem. Phys. Lett.
(2005)
413
289-293
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⩽13
J Chem Phys
(2004)
121
12315
(doi: 10.1063/1.1819894)
Archetypal energy landscapes: dynamical diagnosis.
The Journal of Chemical Physics
(2004)
122
024103
(doi: 10.1063/1.1829633)



