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- Currently displaying 461 - 480 of 694 publications
Theoretical study of rearrangements in water dimer and trimer
Molecular Physics
(2002)
100
2793
(doi: 10.1080/00268970210142648)
Empirical Correlations between Thermodynamic Properties and Intermolecular Forces
Journal of the American Chemical Society
(2002)
117
5013
(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)
Theoretical Study of Rearrangements in Boranes
Inorganic Chemistry
(2002)
26
3845
(doi: 10.1021/ic00270a006)
Balanced Geometries and Structural Trends in Covalent, Ionic, and van der Waals Clusters
Journal of the American Chemical Society
(2002)
112
7908
(doi: 10.1021/ja00178a010)
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)
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
The Journal of Physical Chemistry
(2002)
98
7942
(doi: 10.1021/j100084a005)
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)
Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes
The Journal of Chemical Physics
(2002)
116
2642-2649
(doi: 10.1063/1.1435572)
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
Global optimization and the energy landscapes of Dzugutov clusters
Faraday Discuss
(2002)
118
159
(doi: 10.1039/b008881l)
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
Characterization of Anharmonicities on Complex Potential Energy Surfaces: Perturbation Theory and Simulation
The Journal of Chemical Physics
(2001)
115
9627
(doi: 10.1063/1.1415462)
