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  • Currently displaying 21501 - 21520 of 30298 publications
Author(s)
Publication title
Journal Name
Publication year
Computational studies on the analysis of organic reactivity.
IM Socorro, JM Goodman, KT Taylor
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
Molecular modelling for organic chemists: A chemical informatics problem.
JM Goodman, MA Silva
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Organocuprate oxidation with improved functional group tolerance and its application to medium ring synthesis
DS Surry, DR Spring
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Comparative evaluation of five scoring functions for accurate prediction of protein-ligand binding energy.
D Puvanendrampillai, PM Marsden, JBO Mitchell, RC Glen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
Using dynamic force spectroscopy, protein engineering, structural studies and molecular dynamics simulations to investigate the effect of force on a protein unfolding landscape.
J Clarke
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227
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
Chemically feasible hypothetical crystalline networks.
MD Foster, A Simperler, RG Bell, OD Friedrichs, FAA Paz, J Klinowski
Nat Mater
(2004)
3
Onset of heterogeneous crystal nucleation in colloidal suspensions.
A Cacciuto, S Auer, D Frenkel
Nature
(2004)
428
Fully automated polymer-assisted synthesis of 1,5-biaryl pyrazoles.
E Vickerstaffe, BH Warrington, M Ladlow, SV Ley
ACS Combinatorial Science
(2004)
6
Large effect of polydispersity on defect concentrations in colloidal crystals.
S Pronk, D Frenkel
Journal of Chemical Physics
(2004)
120
Polymorphism of pure p-tert-butylcalix[4]arene: subtle thermally-induced modifications.
JL Atwood, LJ Barbour, GO Lloyd, PK Thallapally
Chem Commun (Camb)
(2004)
Synthesis and photochemistry of a new class of photocleavable protein cross-linking reagents
L Milanesi, GD Reid, GS Beddard, CA Hunter, JP Waltho
Chemistry A European Journal
(2004)
10
Hybrid density functional theory study of vanadium monoxide - art. no. 115119
WC Mackrodt, DS Middlemiss, TG Owens
Physical Review B Condensed Matter and Materials Physics
(2004)
69
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 and Biomolecular Chemistry
(2004)
2
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
Simulation study of intra- and intermicellar ordering in triblock-copolymer systems
CM Wijmans, E Eiser, D Frenkel
The Journal of chemical physics
(2004)
120
An Investigation into Solid-Phase Radical Chemistry - Synthesis of Furan Rings
A Routledge, C Abell, S Balasubramanian*
Synlett
(2004)
1997
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
Analyst
(2004)
129