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  • Currently displaying 19661 - 19680 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
Copper as a selective catalyst for the epoxidation of propene (vol 236, pg 401, 2005)
OPH Vaughan, G Kyriakou, N Macleod, M Tikhov, RM Lambert
Journal of Catalysis
(2006)
238
Diabatic free energy curves and coordination fluctuations for the aqueous Ag+∕Ag2+ redox couple: A biased Born-Oppenheimer molecular dynamics investigation
J Blumberger, I Tavernelli, ML Klein, M Sprik
J Chem Phys
(2006)
124
Deterministic and statistical methods for reconstructing multidimensional NMR spectra.
JW Yoon, SJ Godsill, E Kupce, R Freeman
Magnetic Resonance in Chemistry
(2006)
44
Theory of C2Hx species on Pt{110}(1 x 2): Structure, stability, and thermal chemistry
AT Anghel, SJ Jenkins, DJ Wales, DA King
Journal of Physical Chemistry B
(2006)
110
Plenty of room at the top
D Frenkel
Nature Materials
(2006)
5
Enforced face-to-face stacking of organic semiconductor building blocks within hydrogen-bonded molecular cocrystals.
AN Sokolov, T Friscić, LR MacGillivray
Journal of the American Chemical Society
(2006)
128
Harvesting Chemical Information from the Internet Using a Distributed Approach:  ChemXtreme
M Karthikeyan, S Krishnan, AK Pandey, A Bender
Journal of chemical information and modeling
(2006)
46
Probing the mechanism of amyloidogenesis through a tandem repeat of the PI3-SH3 domain suggests a generic model for protein aggregation and fibril formation
R Bader, R Bamford, J Zurdo, BF Luisi, CM Dobson
Journal of Molecular Biology
(2006)
356
Thermodynamically self-consistent liquid state theories for systems with bounded potentials.
BM Mladek, G Kahl, M Neumann
J Chem Phys
(2006)
124
Translocation boost protein-folding efficiency of double-barreled chaperonins.
I Coluzza, SM van der Vies, D Frenkel
Biophysical journal
(2006)
90
Enhancement of Charge-Transport Characteristics in Polymeric Films Using Polymer Brushes
GL Whiting, HJ Snaith, S Khodabakhsh, JW Andreasen, DW Breiby, MM Nielsen, NC Greenham, RH Friend, WTS Huck
Nano Letters
(2006)
6
Reactive uptake of N2O5 by aerosol particles containing mixtures of humic acid and ammonium sulfate
CL Badger, PT Griffiths, I George, JPD Abbatt, RA Cox
J Phys Chem A
(2006)
110
Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect.
VK de Souza, DJ Wales
Phys Rev Lett
(2006)
96
Sulfur, normally a poison, strongly promotes chemoselective catalytic hydrogenation: stereochemistry and reactivity of crotonaldehyde on clean and S-modified Cu(111).
ME Chiu, G Kyriakou, FJ Williams, DJ Watson, MS Tikhov, RM Lambert
Chem Commun (Camb)
(2006)
Characterization of the organic composition of aerosols from Rondônia, Brazil, during the LBA-SMOCC 2002 experiment and its representation through model compounds
S Decesari, S Fuzzi, MC Facchini, M Mircea, L Emblico, F Cavalli, W Maenhaut, X Chi, G Schkolnik, A Falkovich, Y Rudich, M Claeys, V Pashynska, G Vas, I Kourtchev, R Vermeylen, A Hoffer, MO Andreae, E Tagliavini, F Moretti, P Artaxo
Atmospheric Chemistry and Physics
(2006)
6
Synthesis of Li 1-αv 3O 8 via a gel precursor: Part II, from xerogel to the anhydrous material
M Dubarry, J Gaubicher, D Guyomard, N Steunou, J Livage, N Dupré, CP Grey
Chemistry of Materials
(2006)
18
Equilibrium free energies from fast-switching trajectories with large time steps
W Lechner, H Oberhofer, C Dellago, PL Geissler
The Journal of chemical physics
(2006)
124
Solution structure of p53 core domain: structural basis for its instability.
JMP Cañadillas, H Tidow, SMV Freund, TJ Rutherford, HC Ang, AR Fersht
Proceedings of the National Academy of Sciences
(2006)
103
Preparation of the Neolignan Natural Product Grossamide by a Continuous-Flow Process
S Ley, I Baxendale, C Griffiths-Jones, G Tranmer
Synlett
(2006)
2006
Core domain interactions in full-length p53 in solution.
DB Veprintsev, SMV Freund, A Andreeva, SE Rutledge, H Tidow, JMP Cañadillas, CM Blair, AR Fersht
Proceedings of the National Academy of Sciences
(2006)
103