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- Currently displaying 23821 - 23840 of 30849 publications
Time and length scales in ab initio molecular dynamics
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605
413
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)
A polymer-supported iridium catalyst for the stereoselective isomerisation of double bonds
Synlett
(2002)
2002
0516
(doi: 10.1055/s-2002-20483)
Theoretical determination of the vibrational levels of NH3+ with MULTIMODE
Physical Chemistry Chemical Physics
(2002)
4
4087
(doi: 10.1039/b203364j)
Self-assembly of porphyrin arrays
ADVANCES IN INORGANIC CHEMISTRY, VOL 53
(2002)
53
213
A Clean Conversion of Aldehydes to Nitriles Using a Solid-Supported Hydrazine
Synlett
(2002)
2002
775
(doi: 10.1055/s-2002-25333)
Oxygen scavenging by lithium zincates:: the synthesis, structural characterisation and derivatisation of [Ph(2-C5H4N)N]2ZnRLi•nthf (R = But, Bun; n = 1, 2)
Journal of the Chemical Society Dalton Transactions
(2002)
3129
(doi: 10.1039/b203451d)
Designing neutral coordination networks with the aid of hydrogen bond mimicry using silver(I) carboxylates
Crystengcomm
(2002)
4
239
(doi: 10.1039/b203729g)
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)
Application of Polymer-Supported Enzymes and Reagents in the Synthesis of γ-Aminobutyric Acid (GABA) Analogues
Synlett
(2002)
1641
(doi: 10.1055/s-2002-34249)
Cation Ordering and Electrochemical Properties of the Cathode Materials LiZn x Mn2- x O4, 0 < x ≤ 0.5: A 6Li Magic-Angle Spinning NMR Spectroscopy and Diffraction Study
Chemistry of Materials
(2002)
14
194
(doi: 10.1021/cm010503j)
The preparation of chromium, nickel and chromium-nickel alloy nanoparticles on supports
J. Mater. Chem.
(2002)
12
3809
(doi: 10.1039/b204774h)
The optical gas-sensing properties of an asymmetrically substituted porphyrin
Journal of Materials Chemistry
(2002)
12
2659
(doi: 10.1039/b204984h)
Constructing a map from the electron density to the exchange–correlation potential
Phys. Chem. Chem. Phys.
(2002)
4
4612
(doi: 10.1039/b205854e)
What can classical simulators learn from ab initio simulations?
Journal of Molecular Liquids
(2002)
98-9
79
Reductive decomplexation of π-allyltricarbonyliron lactone complexes;: a new route to stereo-defined 1,7-diols and 2,3-diene-1,7-diols
Chemical Communications
(2002)
2
2130
(doi: 10.1039/b206406p)
Velocity auto-correlation functions in three-dimensional vibro-fluidized granular beds
Physics of Fluids
(2002)
14
232
(doi: 10.1063/1.1420737)
Structural and thermodynamic properties of spin-polarized fluid hydrogen
Physics of Plasmas
(2002)
9
21
(doi: 10.1063/1.1421372)
Structure and chemistry of a zwitterionic amine–aldehyde adduct
Chemical Communications
(2002)
2106
(doi: 10.1039/b206639d)