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- Currently displaying 461 - 480 of 700 publications
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
Journal of Chemical Physics
(2002)
117
10688
(doi: 10.1063/1.1521132)
Equilibrium properties of clusters in the harmonic superposition approximation
Chem. Phys. Lett.
(2002)
366
176
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)
Energy landscapes of model polyalanines
The Journal of Chemical Physics
(2002)
117
1363-1376
(doi: 10.1063/1.1484389)
Some estimates of tunneling splittings in small clusters
Journal of the American Chemical Society
(2002)
115
11191
(doi: 10.1021/ja00077a017)
Diatomics-in-Molecules Potentials Incorporating ab initio\/ Data: Application to Ionic, Rydberg-Excited, and Molecule-Doped Rare Gas Clusters
Compu. Phys. Comm.
(2002)
145
141
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)
Theoretical study of water trimer
Journal of the American Chemical Society
(2002)
115
11180
(doi: 10.1021/ja00077a016)
Empirical Correlations between Thermodynamic Properties and Intermolecular Forces
\jacs
(2002)
117
5013
(doi: 10.1021/ja00123a001)
Theoretical Study of Rearrangements in Boranes
Inorganic Chemistry
(2002)
26
3845
(doi: 10.1021/ic00270a006)
Gradient line reaction path for an SN2 reaction at neutral nitrogen
The Journal of Physical Chemistry
(2002)
98
7942
(doi: 10.1021/j100084a005)
Ab Initio Studies of Fundamental Cluster Rearrangement Mechanisms
Journal of the American Chemical Society
(2002)
114
5399-5406
(doi: 10.1021/ja00039a060)
Rearrangement mechanisms of B12H122- and C2B10H12
Journal of the American Chemical Society
(2002)
115
1557
(doi: 10.1021/ja00057a049)
Multireference perturbation study of ClF 4 +
Physical Chemistry Chemical Physics
(2002)
4
1722
(doi: 10.1039/b108187j)
Saddle points and dynamics of Lennard-Jones clusters, solids, and supercooled liquids
Journal of Chemical Physics
(2002)
116
3777
(doi: 10.1063/1.1436470)
