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Currently displaying 20041 - 20060 of 29849 publications

Self-Assembly, Binding, and Dynamic Properties of Heterodimeric Porphyrin Macrocycles

P Ballester, A Costa, PM Deyà, A Frontera, RM Gomila, AI Oliva, JKM Sanders, CA Hunter

J Org Chem

(2005)

6616

(doi: 10.1021/jo0505369)

Isolated Magnetic Clusters of Co(II) and Ni(II) within 3-Dimensional Organic Frameworks of 6-Mercaptonicotinic Acid: Unique Structural Topologies Based on Selectivity for Hard and Soft Coordination Environments

SM Humphrey, RA Mole, M McPartlin, EJL McInnes, PT Wood

Inorganic chemistry

(2005)

5981

(doi: 10.1021/ic050768q)

CHORAL: a differential geometry approach to the prediction of the cores of protein structures.

RW Montalvao, RE Smith, SC Lovell, TL Blundell

Bioinformatics

(2005)

3719

(doi: 10.1093/bioinformatics/bti595)

Cell-cell communication in Gram-negative bacteria

M Welch, H Mikkelsen, JE Swatton, D Smith, GL Thomas, FG Glansdorp, DR Spring

Molecular Biosystems

(2005)

196

(doi: 10.1039/b505796p)

Directed ortho lithiation of N-alkylphenylaziridines

V Capriati, S Florio, R Luisi, B Musio

Organic Letters

(2005)

3749

(doi: 10.1021/ol051412l)

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

Journal of molecular biology

(2005)

350

776

(doi: 10.1016/j.jmb.2005.04.070)

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

Journal of Molecular Biology

(2005)

350

757

(doi: 10.1016/j.jmb.2005.05.005)

Polar organic compounds in rural PM2.5 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)

Influence of copper on the electronic properties of amorphous chalcogenides

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

Physical Review B Condensed Matter and Materials Physics

(2005)

020202

(doi: 10.1103/PhysRevB.72.020202)

Model car-exhaust catalyst studied by TPD and TP-RAIRS: Surface reactions of NO on clean and O-covered Ir {100}

S Khatua, G Held, DA King

Surface Science

(2005)

586

(doi: 10.1016/j.susc.2005.04.045)

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 Crystallographica Section D Biological Crystallography

(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

(doi: 10.1016/j.cplett.2005.05.075)