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- Currently displaying 461 - 480 of 704 publications
Ab initio study of rearrangements between C60 fullerenes
Chem. Phys. Lett.
(2003)
374
125-131
Energy Landscapes
(2003)
The free energy landscape and dynamics of met-enkephalin
J. Chem. Phys.
(2003)
119
9947-9955
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
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
Bifurcation tunneling dynamics in the water trimer
Journal of Chemical Physics
(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)
Energy landscapes of model polyalanines
Journal of Chemical Physics
(2002)
117
1363-1376
(doi: 10.1063/1.1484389)
REARRANGEMENT MECHANISMS OF B12H12(2-) AND C2B10H12
Journal of the American Chemical Society
(2002)
115
1557
(doi: 10.1021/ja00057a049)
Theoretical Study of Rearrangements in Boranes
Inorganic Chemistry
(2002)
26
3845
(doi: 10.1021/ic00270a006)
Ab initio studies of fundamental cluster rearrangement mechanisms
Journal of the American Chemical Society
(2002)
114
5399-5406
(doi: 10.1021/ja00039a060)
GRADIENT LINE REACTION-PATH FOR AN S(N)2 REACTION AT NEUTRAL NITROGEN
Journal of Physical Chemistry
(2002)
98
7942
(doi: 10.1021/j100084a005)
Balanced geometries and structural trends in covalent, ionic, and van der Waals clusters
Journal of the American Chemical Society
(2002)
112
7908-7915
(doi: 10.1021/ja00178a010)
Diatomics-in-molecules potentials incorporating ab initio data: Application to ionic, Rydberg-excited, and molecule-doped rare gas clusters
Computer Physics Communications
(2002)
145
141
Empirical Correlations between Thermodynamic Properties and Intermolecular Forces
\jacs
(2002)
117
5013-5015
(doi: 10.1021/ja00123a001)
Some estimates of tunneling splittings in small clusters
Journal of the American Chemical Society
(2002)
115
11191
(doi: 10.1021/ja00077a017)
