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  • Currently displaying 20941 - 20960 of 29659 publications
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Similarity searching using atom environments, information gain based feature selection and the naive Bayesian classifier.
A Bender, S Reiling, HY Mussa, RC Glen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Study of the coadsorption of an anionic surfactant and an uncharged polymer at the aqueous solution/hydrophobic surface interface by sum frequency vibrational spectroscopy
MTL Casford, PB Davies, DJ Neivandt
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Semantic grid computing - The WorldWideMolecularMatrix.
Y Zhang, RC Glen, P Murray-Rust, HS Rzepa, JA Townsend
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Capturing chemistry in XML.
JA Townsend, P Murray-Rust
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Chemically feasible hypothetical crystalline networks.
MD Foster, A Simperler, RG Bell, OD Friedrichs, FAA Paz, J Klinowski
Nature Materials
(2004)
3
Onset of heterogeneous crystal nucleation in colloidal suspensions
A Cacciuto, S Auer, D Frenkel
Nature
(2004)
428
Large effect of polydispersity on defect concentrations in colloidal crystals
S Pronk, D Frenkel
The Journal of chemical physics
(2004)
120
Fully automated polymer-assisted synthesis of 1,5-biaryl pyrazoles.
E Vickerstaffe, BH Warrington, M Ladlow, SV Ley
Journal of combinatorial chemistry
(2004)
6
Synthesis and Photochemistry of a New Class of Photocleavable Protein Cross-linking Reagents
L Milanesi, GD Reid, GS Beddard, CA Hunter, JP Waltho
Chemistry
(2004)
10
Polymorphism of pure p-tert-butylcalix[4]arene: subtle thermally-induced modifications
JL Atwood, LJ Barbour, GO Lloyd, PK Thallapally
Chemical communications (Cambridge, England)
(2004)
Hybrid density functional theory study of vanadium monoxide
WC Mackrodt, DS Middlemiss, TG Owens
Physical Review B
(2004)
69
Nitrone dipolar cycloaddition routes to piperidines and indolizidines part 10 - Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors
HT Horsley, AB Holmes, JE Davies, JM Goodman, MA Silva, SI Pascu, I Collins
Organic & biomolecular chemistry
(2004)
2
Analysis of size-segregated aerosol-bound polycyclic aromatic hydrocarbons with high time resolution using two-step laser mass spectrometry.
C Emmenegger, M Kalberer, V Samburova, R Zenobi
The Analyst
(2004)
129
An Investigation into Solid-Phase Radical Chemistry - Synthesis of Furan Rings
A Routledge, C Abell, S Balasubramanian*
Synlett
(2004)
1
Simulation study of intra- and intermicellar ordering in triblock-copolymer systems.
CM Wijmans, E Eiser, D Frenkel
J Chem Phys
(2004)
120
Relaxation of H2O from its /04>- vibrational state in collisions with H2O, Ar, H2, N2, and O2.
PW Barnes, IR Sims, IWM Smith
The Journal of chemical physics
(2004)
120
Stereochemical determination of dictyostatin, a novel microtubule-stabilising macrolide from the marine sponge Corallistidae sp.Electronic supplementary information (ESI) available: copies of 1D and 2D NMR spectra, tables of spectral data and calculated torsion angles. See http://www.rsc.org/suppdata/cc/b3/b316390c/
I Paterson, R Britton, O Delgado, AE Wright
Chemical communications (Cambridge, England)
(2004)
Synthesis and evaluation of two 18F-labeled 6-iodo-2-(4'-N,N-dimethylamino)phenylimidazo[1,2-a]pyridine derivatives as prospective radioligands for beta-amyloid in Alzheimer's disease.
L Cai, FT Chin, VW Pike, H Toyama, J-S Liow, SS Zoghbi, K Modell, E Briard, HU Shetty, K Sinclair, S Donohue, D Tipre, M-P Kung, C Dagostin, DA Widdowson, M Green, W Gao, MM Herman, M Ichise, RB Innis
Journal of Medicinal Chemistry
(2004)
47
Structure and dielectric properties of polar fluids with extended dipoles: results from numerical simulations
V Ballenegger, J-P Hansen
Molecular Physics
(2004)
102
Insight into H2O-ice adsorption and dissociation on metal surfaces from first-principles simulations - art. no. 113404
A Michaelides, A Alavi, DA King
Physical Review B
(2004)
69