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Currently displaying 20101 - 20120 of 29898 publications

Directed ortho lithiation of N-alkylphenylaziridines

V Capriati, S Florio, R Luisi, B Musio

Organic Letters

(2005)

3749

(doi: 10.1021/ol051412l)

Simulation and Experiment Conspire to Reveal Cryptic Intermediates and a Slide from the Nucleation-condensation to Framework Mechanism of Folding

GWN White, S Gianni, JG Grossmann, P Jemth, AR Fersht, V Daggett

J Mol Biol

(2005)

350

757

(doi: 10.1016/j.jmb.2005.05.005)

Mechanical unfolding of TNfn3: The unfolding pathway of a fnIII domain probed by protein engineering, AFM and MD simulation

SP Ng, RWS Rounsevell, A Steward, CD Geierhaas, PM Williams, E Paci, J Clarke

J Mol Biol

(2005)

350

776

(doi: 10.1016/j.jmb.2005.04.070)

Polar organic compounds in rural PM_2.5 aerosols from K-puszta, Hungary, during a 2003 summer field campaign: Sources and diel variations

AC Ion, R Vermeylen, I Kourtchev, J Cafmeyer, X Chi, A Gelencsér, W Maenhaut, M Claeys

Atmospheric Chemistry and Physics

(2005)

1805

(doi: 10.5194/acp-5-1805-2005)

A global resource for computational chemistry.

P Murray-Rust, HS Rzepa, JJP Stewart, Y Zhang

Journal of Molecular Modeling

(2005)

532

(doi: 10.1007/s00894-005-0278-1)

Model car-exhaust catalyst studied by TPD and TP-RAIRS: Surface reactions of NO on clean and O-covered Ir{1 0 0}

S Khatua, G Held, DA King

Surface Science

(2005)

586

(doi: 10.1016/j.susc.2005.04.045)

Influence of copper on the electronic properties of amorphous chalcogenides - art. no. 020202

SI Simdyankin, M Elstner, TA Niehaus, T Frauenheim, SR Elliott

Physical Review B

(2005)

020202

(doi: 10.1103/physrevb.72.020202)

Impact of natural variation in bacterial F17G adhesins on crystallization behaviour.

L Buts, A Wellens, I Van Molle, L Wyns, R Loris, M Lahmann, S Oscarson, H De Greve, J Bouckaert

Acta Crystallogr D Biol Crystallogr

(2005)

1149

(doi: 10.1107/S0907444905017038)

Water and the Huisgen cycloaddition reaction: A focus on polar contributions to the transition state in the reactions of dicyano(phthalazinium)methanide with substituted styrenes and benzylidene acetones

RN Butler, AG Coyne, WJ Cunningham, EM Moloney, LA Burke

Helvetica Chimica Acta

(2005)

1611

(doi: 10.1002/hlca.200590128)

Global minima of (C60)nCa2+, (C60)nF- and (C60)nI- clusters

J Hernández-Rojas, J Bretón, JMG Llorente, DJ Wales

Chemical Physics Letters

(2005)

410

404-409

(doi: 10.1016/j.cplett.2005.05.075)