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- Currently displaying 461 - 480 of 695 publications
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)
Theoretical Study of Rearrangements in Boranes
Inorganic Chemistry
(2002)
26
3845
(doi: 10.1021/ic00270a006)
Diatomics-in-molecules potentials incorporating ab initio data: Application to ionic, Rydberg-excited, and molecule-doped rare gas clusters
Computer Physics Communications
(2002)
145
141-155
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
(doi: 10.1021/ja00039a060)
REARRANGEMENT MECHANISMS OF B12H12(2-) AND C2B10H12
Journal of the American Chemical Society
(2002)
115
1557
(doi: 10.1021/ja00057a049)
Theoretical Study of Water Trimer
Journal of the American Chemical Society
(2002)
115
11180
(doi: 10.1021/ja00077a016)
Some estimates of tunneling splittings in small clusters
Journal of the American Chemical Society
(2002)
115
11191
(doi: 10.1021/ja00077a017)
Empirical Correlations between Thermodynamic Properties and Intermolecular Forces
\jacs
(2002)
117
5013
(doi: 10.1021/ja00123a001)
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)
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
The Journal of Chemical Physics
(2002)
116
3777
(doi: 10.1063/1.1436470)
Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes
The Journal of Chemical Physics
(2002)
116
2642
(doi: 10.1063/1.1435572)
The infrared and ultraviolet spectra of single conformations of methyl-capped dipeptides: N-acetyl tryptophan amide and N-acetyl tryptophan methyl amide
J. Chem. Phys.
(2002)
117
10688-10702
Energy landscapes: An overview
Materials Research Society Symposium Proceedings
(2002)
700
271
Global optimization and the energy landscapes of Dzugutov clusters.
Faraday discussions
(2002)
118
159
(doi: 10.1039/b008881l)
