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- Currently displaying 22781 - 22800 of 29893 publications
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CHEMISTRY IN BRITAIN
(2002)
38
20
Propene epoxidation over K-promoted Ag/CaCO3 catalysts: The effect of metal particle size
Catalysis Letters
(2002)
80
93
(doi: 10.1023/A:1015484121891)
A study of the known and hypothetical crystal structures of pyridine: why are there four molecules in the asymmetric unit cell?
CrystEngComm
(2002)
4
348
(doi: 10.1039/b202084j)
The Superstructure of Lead Tetragonal Tungsten Bronze
Journal of Solid State Chemistry
(2002)
168
306
(doi: 10.1006/jssc.2002.9630)
Effective interactions for large-scale simulations of complex fluids
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605
167
OmpA: a pore or not a pore? Simulation and modeling studies.
Biophys J
(2002)
83
763
Global optimization and the energy landscapes of Dzugutov clusters
Faraday discussions
(2002)
118
159
(doi: 10.1039/b008881l)
Constructing a map from the electron density to the exchange-correlation potential
Phys. Chem. Chem. Phys.
(2002)
4
4612
(doi: 10.1039/b205854e)
The use of XANES and ELNES for the characterisation of stabilised zirconia
Materials Research Society Symposium Proceedings
(2002)
699
161
Theoretical determination of the vibrational levels of NH3+ with MULTIMODE
Phys. Chem. Chem. Phys.
(2002)
4
4087
(doi: 10.1039/b203364j)
High-throughput crystallography for lead discovery in drug design
Nat Rev Drug Discov
(2002)
1
45
(doi: 10.1038/nrd706)
New Directions: Mobile laboratory reveals new issues in urban air quality
Atmospheric Environment
(2002)
36
1247
Comparison of empirically derived ozone losses in the Arctic vortex
Journal of Geophysical Research D: Atmospheres
(2002)
107
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
Energetics of enzyme stability.
Trends in biotechnology
(2002)
20
1
C-H⋯π interactions in the low-temperature crystal structures of α,Ω-unsaturated linear hydrocarbons
Chemical Communications
(2002)
2
1664
(doi: 10.1039/b204261d)
A clean conversion of aldehydes to nitriles using a solid-supported hydrazine
Synlett
(2002)
2002
0775
(doi: 10.1055/s-2002-25333)
What can classical simulators learn from ab initio simulations?
Journal of Molecular Liquids
(2002)
98-9
79
Diode laser spectrum of the nu(1) fundamental band of PNO
Journal of Molecular Spectroscopy
(2002)
211
107
(doi: 10.1006/jmsp.2001.8487)
Diagnosis of mixing between middle latitudes and the polar vortex from tracer-tracer correlations
Journal of Geophysical Research Atmospheres
(2002)
107
1
(doi: 10.1029/2001JD001224)
