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  • Currently displaying 19301 - 19320 of 29290 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
J Mol Biol
(2006)
356
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 Lett
(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
The journal of physical chemistry. A
(2006)
110
Super-Arrhenius Diffusion in an Undercooled Binary Lennard-Jones Liquid Results from a Quantifiable Correlation Effect
VK de Souza, DJ Wales
Physical Review Letters
(2006)
96
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 Li1+ αV3O8 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
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
Chemical communications (Cambridge, England)
(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 of the United States of America
(2006)
103
Equilibrium free energies from fast-switching trajectories with large time steps - art. no. 044113
W Lechner, H Oberhofer, C Dellago, PL Geissler
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
Insertion and assembly of membrane proteins via simulation.
PJ Bond, MSP Sansom
J Am Chem Soc
(2006)
128
Characterizing bitterness: Identification of key structural features and development of a classification model
S Rodgers, RC Glen, A Bender
Journal of chemical information and modeling
(2006)
46
Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery
TL Blundell, BL Sibanda, RW Montalvao, S Brewerton, V Chelliah, CL Worth, NJ Harmer, O Davies, D Burke
Philosophical Transactions of the Royal Society B Biological Sciences
(2006)
361
Mild Aerobic Oxidative Palladium (II) Catalyzed C−H Bond Functionalization:  Regioselective and Switchable C−H Alkenylation and Annulation of Pyrroles
EM Beck, NP Grimster, R Hatley, MJ Gaunt
Journal of the American Chemical Society
(2006)
128
Spin transitions in a dithiazolyl radical: preparation, crystal structures, and magnetic properties of 3-cyanobenzo-1,3,2-dithiazolyl, C7H3S2N2.
A Alberola, RJ Collis, SM Humphrey, RJ Less, JM Rawson
Inorganic chemistry
(2006)
45