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- Currently displaying 441 - 460 of 703 publications
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)
A doubly nudged elastic band method for finding transition states (vol 120, pg 2082, 2004)
Journal of Chemical Physics
(2004)
120
7820
(doi: 10.1063/1.1691408)
An ab initio study of tunneling splittings in the water dimer
The Journal of chemical physics
(2004)
120
5993
(doi: 10.1063/1.1651058)
A doubly nudged elastic band method for finding transition states
Journal of Chemical Physics
(2004)
120
2082
(doi: 10.1063/1.1636455)
The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamics
J. Chem. Phys.
(2004)
120
148-157
Chemistry. Energy Landscapes: Applications to Clusters, Biomolecules and Glasses D. J. Wales
Sci.
(2004)
305
1108-1109
New results for phase transitions from catastrophe theory
J. Chem. Phys.
(2004)
120
11090-11099
The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamics
J Chem Phys
(2004)
120
148
(doi: 10.1063/1.1626541)
Some further applications of discrete path sampling to cluster isomerization
Mol. Phys.
(2004)
102
891-908
Stationary points and dynamics in high-dimensional systems
Journal of Chemical Physics
(2003)
119
12409
(doi: 10.1063/1.1625644)
Exploring energy landscapes with Monte Carlo methods
AIP Conference Proceedings
(2003)
690
334
(doi: 10.1063/1.1632145)
The free energy landscape and dynamics of met-enkephalin
Journal of Chemical Physics
(2003)
119
9947
(doi: 10.1063/1.1616515)
Density effects in a bulk binary Lennard-Jones system
Physical Review B Condensed Matter and Materials Physics
(2003)
68
144202
(doi: 10.1103/physrevb.68.144202)
Global minima for rare gas clusters containing one alkali metal ion
Journal of Chemical Physics
(2003)
119
7800-7804
(doi: 10.1063/1.1608852)
Ab initio study of rearrangements between C-60 fullerenes
Chemical Physics Letters
(2003)
374
125
Theoretical study of finite-temperature spectroscopy in van der Waals clusters. II. Time-dependent absorption spectra
The Journal of Chemical Physics
(2003)
118
8754
(doi: 10.1063/1.1566951)
Comment on “Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids” [J. Chem. Phys. 116, 10297 (2002)]
Journal of Chemical Physics
(2003)
118
5263
(doi: 10.1063/1.1553754)
Energy landscapes of model glasses. II. Results for constant pressure
The Journal of Chemical Physics
(2003)
118
4583
(doi: 10.1063/1.1545096)
Free energy landscapes of model peptides and proteins
Journal of Chemical Physics
(2003)
118
3891
(doi: 10.1063/1.1540099)
The favored cluster structures of model glass formers
The Journal of Chemical Physics
(2003)
118
2792
(doi: 10.1063/1.1534831)
