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Currently displaying 12441 - 12460 of 29357 publications

A quantitative comparison of single-dye tracking analysis tools using Monte Carlo simulations.

L Weimann, KA Ganzinger, J McColl, KL Irvine, SJ Davis, NJ Gay, CE Bryant, D Klenerman

– PLoS ONE

(2013)

e64287

(doi: 10.1371/journal.pone.0064287)

Visualizing basins of attraction for different minimization algorithms.

D Asenjo, JD Stevenson, DJ Wales, D Frenkel

– The Journal of Physical Chemistry B

(2013)

117,

12717

(doi: 10.1021/jp312457a)

Two Bronze Medals for Switzerland at the 44th International Chemistry Olympiad Held in Washington DC, USA

BIM Wicky, S Keller, P Ludwig, A Vaucher

– CHIMIA International Journal for Chemistry

(2013)

67,

351

(doi: 10.2533/chimia.2013.351)

Airborne observations of trace gases over boreal Canada during BORTAS: campaign climatology, airmass analysis and enhancement ratios

SJ O'Shea, G Allen, MW Gallagher, SJ-B Bauguitte, SM Illingworth, M Le Breton, JBA Muller, CJ Percival, AT Archibald, DE Oram, M Parrington, PI Palmer, AC Lewis

– Atmospheric Chemistry and Physics Discussions

(2013)

13,

14069

(doi: 10.5194/acpd-13-14069-2013)

Nanoelectrospray ionization mass spectrometric study of Mycobacterium tuberculosis CYP121-ligand interactions.

KM Duffell, SA Hudson, KJ McLean, AW Munro, C Abell, D Matak-Vinković

– Analytical Chemistry

(2013)

85,

5707

(doi: 10.1021/ac400236z)

Corrigendum to "Pre-industrial to end 21st century projections of tropospheric ozone from the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)" published in Atmos. Chem. Phys., 13, 2063–2090, 2013

PJ Young, AT Archibald, KW Bowman, JF Lamarque, V Naik, DS Stevenson, S Tilmes, A Voulgarakis, O Wild, D Bergmann, P Cameron-Smith, I Cionni, WJ Collins, SB Dalsøren, RM Doherty, V Eyring, G Faluvegi, LW Horowitz, B Josse, YH Lee, IA MacKenzie, T Nagashima, DA Plummer, M Righi, ST Rumbold, RB Skeie, DT Shindell, SA Strode, K Sudo, S Szopa, G Zeng

– Atmospheric Chemistry and Physics

(2013)

13,

5401

(doi: 10.5194/acp-13-5401-2013)

Significant changes in pKa between bulk aqueous solution and surface immobilized species: ortho-hydroquinones

PT Lee, JC Harfield, A Crossley, BS Pilgrim, RG Compton

– RSC Advances

(2013)

7347

(doi: 10.1039/c3ra00164d)

Jumping, rotating, and flapping: The atomic-scale motion of thiophene on Cu(111)

BAJ Lechner, M Sacchi, AP Jardine, H Hedgeland, W Allison, J Ellis, SJ Jenkins, PC Dastoor, BJ Hinch

– J Phys Chem Lett

(2013)

1953

(doi: 10.1021/jz400639c)

Local Frustration Determines Molecular and Macroscopic Helix Structures

CJ Forman, SN Fejer, D Chakrabarti, PD Barker, DJ Wales

– The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical

(2013)

117,

7918

(doi: 10.1021/jp4040503)

The global nitrogen cycle in the twenty-first century: introduction.

D Fowler, JA Pyle, JA Raven, MA Sutton

– Philosophical Transactions of the Royal Society B: Biological Sciences

(2013)

368,

20130165

(doi: 10.1098/rstb.2013.0165)

Flow chemistry approaches directed at improving chemical synthesis

IR Baxendale, L Brocken, CJ Mallia

– Green Processing and Synthesis

(2013)

211

(doi: 10.1515/gps-2013-0029)

Prediction of Cytochrome P450 Xenobiotic Metabolism: Tethered Docking and Reactivity Derived from Ligand Molecular Orbital Analysis

JD Tyzack, MJ Williamson, R Torella, RC Glen

– J Chem Inf Model

(2013)

53,

1294

(doi: 10.1021/ci400058s)

Computer simulation of the homogeneous nucleation of ice

A Reinhardt

(2013)

Proliferation of amyloid-β42 aggregates occurs through a secondary nucleation mechanism.

SIA Cohen, S Linse, LM Luheshi, E Hellstrand, DA White, L Rajah, DE Otzen, M Vendruscolo, CM Dobson, TPJ Knowles

– Proceedings of the National Academy of Sciences of the United States of America

(2013)

110,

9758

(doi: 10.1073/pnas.1218402110)

Tuning affinity and reversibility for O2 binding in dinuclear Co(II) complexes.

MS Vad, FB Johansson, RK Seidler-Egdal, JE McGrady, SM Novikov, SI Bozhevolnyi, AD Bond, CJ McKenzie

– Dalton Trans

(2013)

42,

9921

(doi: 10.1039/c3dt50617g)

Flow Synthesis and Biological Studies of an Analgesic Adamantane Derivative That Inhibits P2X7-Evoked Glutamate Release

C Battilocchio, L Guetzoyan, C Cervetto, L Di Cesare Mannelli, D Frattaroli, IR Baxendale, G Maura, A Rossi, L Sautebin, M Biava, C Ghelardini, M Marcoli, SV Ley

– ACS Med Chem Lett

(2013)

704

(doi: 10.1021/ml400079h)