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- Currently displaying 441 - 460 of 689 publications
The free energy landscape and dynamics of met-enkephalin
J. Chem. Phys.
(2003)
119
9947-9955
Ab initio study of rearrangements between C60 fullerenes
Chem. Phys. Lett.
(2003)
374
125-131
Stationary points and dynamics in high-dimensional systems
J. Chem. Phys.
(2003)
119
12409-12416
Theoretical study of finite-temperature spectroscopy in CaAr$_n$ clusters. II. Time-dependent absorption spectra
J. Chem. Phys.
(2003)
118
8754-8762
Exploring energy landscapes with Monte Carlo methods
MONTE CARLO METHOD IN THE PHYSICAL SCIENCES
(2003)
690
334
Energy Landscapes
(2003)
The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide
The Journal of Chemical Physics
(2002)
117
10688
(doi: 10.1063/1.1521132)
Equilibrium properties of clusters in the harmonic superposition approximation
Chemical Physics Letters
(2002)
366
176-183
Bifurcation tunneling dynamics in the water trimer
J. Chem. Phys.
(2002)
117
8823
(doi: 10.1063/1.1509750)
Theoretical study of rearrangements in water dimer and trimer
Molecular Physics
(2002)
100
2793
(doi: 10.1080/00268970210142648)
Ab initio studies of fundamental cluster rearrangement mechanisms
\jacs
(2002)
114
5399-5406
(doi: 10.1021/ja00039a060)
Theoretical study of water trimer
Journal of the American Chemical Society
(2002)
115
11180
(doi: 10.1021/ja00077a016)
Rearrangement Mechanisms of B12H122− and C2B10H12
Journal of the American Chemical Society
(2002)
115
1557
(doi: 10.1021/ja00057a049)
Balanced Geometries and Structural Trends in Covalent, Ionic, and van der Waals Clusters
\jacs
(2002)
112
7908
(doi: 10.1021/ja00178a010)
Empirical Correlations between Thermodynamic Properties and Intermolecular Forces
\jacs
(2002)
117
5013
(doi: 10.1021/ja00123a001)
Gradient Line Reaction Path for an SN2 Reaction at Neutral Nitrogen
The Journal of Physical Chemistry
(2002)
98
7942
(doi: 10.1021/j100084a005)
Some Estimates of Tunneling Splittings in Small Clusters
Journal of the American Chemical Society
(2002)
115
11191
(doi: 10.1021/ja00077a017)
