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- Currently displaying 481 - 500 of 709 publications
GRADIENT LINE REACTION-PATH FOR AN S(N)2 REACTION AT NEUTRAL NITROGEN
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)
Empirical Correlations between Thermodynamic Properties and Intermolecular Forces
\jacs
(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)
Balanced Geometries and Structural Trends in Covalent, Ionic, and van der Waals Clusters
\jacs
(2002)
112
7908-7915
(doi: 10.1021/ja00178a010)
Theoretical study of rearrangements in boranes
Inorganic Chemistry
(2002)
26
3845
(doi: 10.1021/ic00270a006)
Multireference perturbation study of ClF4+
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
Global optimization and the energy landscapes of Dzugutov clusters.
Faraday discussions
(2002)
118
159
(doi: 10.1039/b008881l)
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
9627-9636
(doi: 10.1063/1.1415462)
Modeling the structure of clusters of C-60 molecules
Phys. Rev. B
(2001)
64
235409
(doi: 10.1103/PhysRevB.64.235409)
A Microscopic Basis for the Global Appearance of Energy Landscapes
Science (New York, N.Y.)
(2001)
293
2067-2069
(doi: 10.1126/science.1062565)
Comment on "effect of potential energy distribution on the melting of clusters"
Physical Review Letters
(2001)
87
119301/1
Comment on "Effect of potential energy distribution on the melting of clusters"
Phys Rev Lett
(2001)
8711
art. no.
