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Currently displaying 20221 - 20240 of 30304 publications

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D Frenkel

Nature Materials

(2006)

(doi: 10.1038/nmat1572)

Enforced Face-to-Face Stacking of Organic Semiconductor Building Blocks within Hydrogen-Bonded Molecular Cocrystals

AN Sokolov, T Friscić, LR MacGillivray

J Am Chem Soc

(2006)

128

2806

(doi: 10.1021/ja057939a)

Theory of C2Hx species on Pt{110}(1 x 2): Structure, stability, and thermal chemistry

AT Anghel, SJ Jenkins, DJ Wales, DA King

The Journal of Physical Chemistry B

(2006)

110

4147

(doi: 10.1021/jp055128n)

Thermodynamically self-consistent liquid state theories for systems with bounded potentials.

BM Mladek, G Kahl, M Neumann

J Chem Phys

(2006)

124

64503

(doi: 10.1063/1.2167646)

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)

452

(doi: 10.1021/ci050329+)

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

189

(doi: 10.1016/j.jmb.2005.11.034)

Translocation boost protein-folding efficiency of double-barreled chaperonins

I Coluzza, SM van der Vies, D Frenkel

Biophysical journal

(2006)

3375

(doi: 10.1529/biophysj.105.074898)

Forward Flux Sampling-type schemes for simulating rare events: Efficiency analysis

RJ Allen, D Frenkel, PRT Wolde

(2006)

(doi: 10.48550/arxiv.cond-mat/0602269)

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)

057802

(doi: 10.1103/PhysRevLett.96.057802)

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

Journal of Physical Chemistry A

(2006)

110

6986

(doi: 10.1021/jp0562678)

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)

573

(doi: 10.1021/nl051803t)

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)

629

(doi: 10.1021/cm051508+)

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

(2006)

1283

(doi: 10.1039/b517154g)

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)

375

(doi: 10.5194/acp-6-375-2006)

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

2115

(doi: 10.1073/pnas.0511130103)