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Currently displaying 20141 - 20160 of 30233 publications

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

BM Mladek, G Kahl, M Neumann

The Journal of chemical physics

(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

J Chem Inf Model

(2006)

452

(doi: 10.1021/ci050329+)

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)

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)

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

189

(doi: 10.1016/j.jmb.2005.11.034)

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)

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)

057802

(doi: 10.1103/physrevlett.96.057802)

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)

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)

{629-636}

(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

Chem Commun (Camb)

(2006)

1283

(doi: 10.1039/b517154g)