University of Cambridge

Department of Chemistry

Publications 2004


S. E. Adams, J. M. Goodman, R. J. Kidd, A. D. McNaught, P. Murray-Rust, F. R. Norton, J. A. Townsend and C. A. Waudby,
Experimental data checker: better information for organic chemists,
Org. Biomol. Chem., 2004, 2, 3067-3070.

C. I. Addison, A. A. Louis and J. P. Hansen,
Influence of solvent quality on polymer solutions: A Monte Carlo study of bulk and interfacial properties,
J. Chem. Phys., 2004, 121, 612-620.

A. Alavi, R. J. C. Brown, S. Habershon, K. D. M. Harris and R. L. Johnston,
Ammonium cyanate: a DFT study of crystal structure, rotational barriers and vibrational spectrum,
Mol. Phys., 2004, 102, 869-876.

A. Alberola, C. M. Pask, J. M. Rawson, E. J. L. McInnes, J. Wolowska, H. El Mkami and G. Smith,
Antiferromagnetic resonance studies on the spin-canted molecular magnet beta-p-NCC6F4CNSSN,
J. Phys. Chem. B, 2003, 107, 14158-14160.

A. Alberola, R. J. Less, F. Palacio, C. M. Pask and J. M. Rawson,
Synthesis and magnetic properties of the novel dithiadiazolyl radical, p-NCC6F4C6F4CNSSN,
Molecules, 2004, 9, 771-781.

A. Alberola, G. D. McManus and J. M. Rawson,
Synthesis and characterisation of tetrafluorobenzo-1,3,2- dithiazolyl,
Phosphorus Sulfur Silicon Relat. Elem., 2004, 179, 979-980.

J. W. A. Allen, P. D. Barker and S. J. Ferguson,
A cytochrome b(562) variant with a c-type cytochrome CXXCH heme-binding motif as a probe of the Escherichia coli cytochrome c maturation system,
J. Biol. Chem., 2003, 278, 52075-52083.

R. J. Allen and P. B. Warren,
Complexation and phase behavior of oppositely charged polyelectrolyte/macroion systems,
Langmuir, 2004, 20, 1997-2009.

C. S. Alvarez, S. R. Boss, J. C. Burley, S. M. Humphry, R. A. Layfield, R. A. Kowenicki, M. McPartlin, J. M. Rawson, A. E. H. Wheatley, P. T. Wood and D. S. Wright,
Syntheses, structures and magnetic properties of Mn(II) dimers CpMn(mu-X) (2) (Cp = C5H5; X = RNH, (RRN)-R-1-N-2, C CR),
Dalton Trans., 2004, 3481-3487.

D. Ananias, M. Kostova, F. A. A. Paz, A. Ferreira, L. D. Carlos, J. Klinowski and J. Rocha,
Photoluminescent layered lanthanide silicates,
J. Am. Chem. Soc., 2004, 126, 10410-10417.

S. P. Andrews, D. Jonsson, B. H. Warrington and M. Ladlow,
Automated parallel, multi-step polymer-assisted solution phase (PASP) synthesis of substituted benzimidazole derivatives,
Comb. Chem. High Throughput Screen, 2004, 7, 163-178.

J. A. Aquilina, J. L. P. Benesch, L. L. Ding, O. Yaron, J. Horwitz and C. V. Robinson,
Phosphorylation of alpha B-crystallin alters chaperone function through loss of dimeric substructure,
J. Biol. Chem., 2004, 279, 28675-28680.

S. C. Archibald, D. J. Barden, J. F. Y. Bazin, I. Fleming, C. F. Foster, A. K. Mandal, D. Parker, K. Takaki, A. C. Ware, A. R. B. Williams and A. B. Zwicky,
Stereocontrol in organic synthesis using silicon-containing compounds. Studies directed towards the synthesis of ebelactone A,
Org. Biomol. Chem., 2004, 2, 1051-1064.

D. R. Armstrong, S. R. Boss, J. Clayden, R. Haigh, B. A. Kirmani, D. J. Linton, P. Schooler and A. E. H. Wheatley,
Controlling chemoselectivity in the lithiation of substituted aromatic tertiary amides,
Angew. Chem.-Int. Edit., 2004, 43, 2135-2138.

H. Arnolds,
Femtosecond laser-induced reactions with O-2 on Pt{111},
Surf. Sci., 2004, 548, 151-156.

J. Arvanitidis, K. Papagelis, S. Margadonna and K. Prassides,
Lattice collapse in mixed-valence samarium fulleride SM2.75C60 at high pressure,
Dalton Trans., 2004, 3144-3146.

R. Atkinson, D. L. Baulch, R. A. Cox, J. N. Crowley, R. F. Hampson, R. G. Hynes, M. E. Jenkin, M. J. Rossi and J. Troe,
Evaluated kinetic and photochemical data for atmospheric chemistry: Volume I - gas phase reactions of O-x, HOx, NOx and SOx species,
Atmos. Chem. Phys., 2004, 4, 1461-1738.

J. P. Attfield,
Multidataset refinement resonant diffraction, and magnetic structures,
J. Res. Natl. Inst. Stand. Technol., 2004, 109, 99-106.

J. P. Attfield, F. J. Berry, J. Bland, A. M. Beesley, A. C. McLaughlin and M. F. Thomas,
Magnetic interactions on the tin sites in the tin-doped ferromagnetic superconductor Ru1-xSnxSr2GdCu2O8,
J. Phys.-Condes. Matter, 2004, 16, 955-961.

S. Auer and D. Frenkel,
Quantitative prediction of crystal-nucleation rates for spherical colloids: A computational approach,
Annu. Rev. Phys. Chem., 2004, 55, 333-361.

S. Auer and D. Frenkel,
Numerical prediction of absolute crystallization rates in hard- sphere colloids,
J. Chem. Phys., 2004, 120, 3015-3029.

A. Baerga-Ortiz, S. Bergqvist, J. G. Mandell and E. A. Komives,
Two different proteins that compete for binding to thrombin have opposite kinetic and thermodynamic profiles,
Protein Sci., 2004, 13, 166-176.

S. M. Ball and R. L. Jones,
Broad-band cavity ring-down spectroscopy,
Chem. Rev., 2003, 103, 5239-5262.

S. M. Ball, J. M. Langridge and R. L. Jones,
Broadband cavity enhanced absorption spectroscopy using light emitting diodes,
Chem. Phys. Lett., 2004, 398, 68-74.

V. Ballenegger and J. P. Hansen,
Structure and dielectric properties of polar fluids with extended dipoles: results from numerical simulations,
Mol. Phys., 2004, 102, 599-609.

E. P. Balskus, P. E. Brennan and S. V. Ley,
Studies toward a total synthesis of bengazole A utilizing BDA- protected building blocks,
Abstr. Pap. Am. Chem. Soc., 2003, 225, 418-ORGN.

A. Bapma, E. Vickerstaffe, B. H. Warrington, M. Ladlow, T. P. D. Fan and S. V. Ley,
Polymer-assisted, multi-step solution phase synthesis and biological screening of histone deacetylase inhibitors,
Org. Biomol. Chem., 2004, 2, 611-620.

A. Battersby,
Lewis N. Mander - Foreword,
Aust. J. Chem., 2004, 57, 611-617.

T. Batuwangala, D. Shepherd, S. D. Gadola, K. J. C. Gibson, N. R. Zaccai, A. R. Fersht, G. S. Besra, V. Cerundolo and E. Y. Jones,
The crystal structure of human CD1b with a bound bacterial glycolipid,
J. Immunol., 2004, 172, 2382-2388.

I. R. Baxendale, T. D. Davidson, S. V. Ley and R. H. Perni,
Enantioselective synthesis of the tetrahydrobenzylisoquinoline alkaloid (-)-norarmepavine using polymer supported reagents,
Heterocycles, 2003, 60, 2707-+.

B. R. Bellenie and J. M. Goodman,
Sulfonium ylide epoxidation reactions: methylene transfer,
Chem. Commun., 2004, 1076-1077.

F. Bemporad, C. Capanni, M. Calamai, M. L. Tutino, M. Stefani and F. Chiti,
Studying the folding process of the acylphosphatase from Sulfolobus solfataricus. A comparative analysis with other proteins from the same superfamily,
Biochemistry, 2004, 43, 9116-9126.

A. Bender and R. C. Glen,
Molecular similarity: a key technique in molecular informatics,
Org. Biomol. Chem., 2004, 2, 3204-3218.

A. Bender, H. Y. Mussa, R. C. Glen and S. Reiling,
Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): Evaluation of performance,
J. Chem. Inf. Comput. Sci., 2004, 44, 1708-1718.

A. Bender, H. Y. Mussa, R. C. Glen and S. Reiling,
Molecular similarity searching using atom environments, information-based feature selection, and a naive Bayesian classifier,
J. Chem. Inf. Comput. Sci., 2004, 44, 170-178.

F. Benevelli, Y. Z. Khimyak and J. Klinowski,
C-13 and 2DWISE NMR studies of the host mobility in two aromatic complexes of p-tert-butyl-calixarene,
J. Incl. Phenom. Macrocycl. Chem., 2004, 49, 211-218.

C. G. Benitez-Cardoza, K. Stott, M. Hirshberg, H. M. Went, D. N. Woolfson and S. E. Jackson,
Exploring sequence/folding space: Folding studies on multiple hydrophobic core mutants of ubiquitin,
Biochemistry, 2004, 43, 5195-5203.

P. Benito, F. M. Labajos, P. Moreno and W. Jones,
Preparation of a new hybrid organic/inorganic material by cholina intercalation into molybdenum bronzes,
Bol. Soc. Esp. Ceram. Vidr., 2004, 43, 426-428.

L. Bernasconi, J. Blumberger, M. Sprik and R. Vuilleumier,
Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions,
J. Chem. Phys., 2004, 121, 11885-11899.

L. Bernasconi, M. Sprik and R. Hutter,
Hartree-Fock exchange in time dependent density functional theory: application to charge transfer excitations in solvated molecular systems,
Chem. Phys. Lett., 2004, 394, 141-146.

R. B. Best and M. Vendruscolo,
Determination of protein structures consistent with NMR order parameters,
J. Am. Chem. Soc., 2004, 126, 8090-8091.

R. B. Best, J. Clarke and M. Karplus,
The origin of protein sidechain order parameter distributions,
J. Am. Chem. Soc., 2004, 126, 7734-7735.

R. B. Best, T. J. Rutherford, S. M. V. Freund and J. Clarke,
Hydrophobic core fluidity of homologous protein domains: Relation of side-chain dynamics to core composition and packing,
Biochemistry, 2004, 43, 1145-1155.

A. Bickerstaffe, L. Messe, S. M. Clarke, J. Parker, A. Perdigon, N. P. Cheah and A. Inaba,
Mixing behaviour of carboxylic acids adsorbed on graphite,
Phys. Chem. Chem. Phys., 2004, 6, 3545-3550.

R. A. Billington, J. W. Thuring, S. J. Conway, L. Packman, A. B. Holmes and A. A. Genazzani,
Production and characterization of reduced NAADP (nicotinic acid-adenine dinucleotide phosphate),
Biochem. J., 2004, 378, 275-280.

L. M. Birch and C. Abell,
Proposed mechanism for ketopantoate hydroxymethyltransferase,
Abstr. Pap. Am. Chem. Soc., 2003, 226, 100-BIOL.

S. J. Birch, S. R. Boss, S. C. Cole, M. P. Coles, R. Haigh, P. B. Hitchcock and A. E. H. Wheatley,
The structural characteristics of organozinc complexes incorporating N,N '-bidentate ligands,
Dalton Trans., 2004, 3568-3574.

R. Blaak, H. Lowen and J. L. Barrat,
Comment on "New phase for one-component hard spheres" J. Chem. Phys. 120, 11686 (2004),
J. Chem. Phys., 2004, 121, 12115-12116.

R. Blaak, S. Auer, D. Frenkel and H. Lowen,
Homogeneous nucleation of colloidal melts under the influence of shearing fields,
J. Phys.-Condes. Matter, 2004, 16, S3873-S3884.

R. Blaak, S. Auer, D. Frenkel and H. Lowen,
Crystal nucleation of colloidal suspensions under shear,
Phys. Rev. Lett., 2004, 93, art. no.-068303.

M. Blanco-Rey, P. de Andres, G. Held and D. A. King,
A FORTRAN-90 Low-Energy Electron Diffraction program (LEED90 v1.1),
Comput. Phys. Commun., 2004, 161, 151-165.

M. Blanco-Rey, P. de Andres, G. Held and D. A. King,
Molecular t-matrices for Low-Energy Electron Diffraction (TMOL v1.1),
Comput. Phys. Commun., 2004, 161, 166-178.

Y. Bleriot, S. K. Vadivel, A. J. Herrera, I. R. Greig, A. J. Kirby and P. Sinay,
Synthesis and acid catalyzed hydrolysis of B-2,B-5 type conformationally constrained glucopyranosides: incorporation into a cellobiose analogue,
Tetrahedron, 2004, 60, 6813-6828.

J. Blumberger and M. Sprik,
Free energy of oxidation of metal aqua ions by an enforced change of coordination,
J. Phys. Chem. B, 2004, 108, 6529-6535.

J. Blumberger, L. Bernasconi, I. Tavernelli, R. Vuilleumier and M. Sprik,
Electronic structure and solvation of copper and silver ions: A theoretical picture of a model aqueous redox reaction,
J. Am. Chem. Soc., 2004, 126, 3928-3938.

T. V. Bogdan and D. J. Wales,
New results for phase transitions from catastrophe theory,
J. Chem. Phys., 2004, 120, 11090-11099.

A. D. Bond, E. L. Doyle, F. Garcia, R. A. Kowenicki, M. McPartlin, L. Riera and D. S. Wright,
Exo-metal coordination by a tricyclic {P(mu-N-2-NC5H4)}(2)(mu- O) (2) dimer in {P(mu-N-2-NC5H4)}(2)(mu-O) (2){CuCl center dot(C5H5N)(2)}4 {2-NC5H4=2-pyridyl, C5H5N=pyridine),
Chem. Commun., 2003, 2990-2991.

A. D. Bond, C. S. Clarke, D. A. Haynes, S. I. Pascu and J. M. Rawson,
Small molecule fixation by a sulfur-nitrogen radical,
Phosphorus Sulfur Silicon Relat. Elem., 2004, 179, 981-982.

A. D. Bond, E. L. Doyle, F. Garcia, R. A. Kowenicki, D. Moncrieff, M. McPartlin, L. Riera, A. D. Woods and D. S. Wright,
Thermodynamic/kinetic control in the isomerization of the {tBuNP(mu-NtBu)}(2) (2-) ion,
Chem.-Eur. J., 2004, 10, 2271-2276.

A. D. Bond,
On the crystal structures and melting point alternation of the n-alkyl carboxylic acids,
New J. Chem., 2004, 28, 104-114.

D. T. Y. Bong, E. W. L. Chan, R. Diercks, P. I. Dosa, M. M. Haley, A. J. Matzger, O. S. Miljanic, K. P. C. Vollhardt, A. D. Bond, S. J. Teat and A. Stanger,
Syntheses of syn and anti doublebent 5 phenylene,
Org. Lett., 2004, 6, 2249-2252.

P. A. Bonnet, J. van de Streek, A. V. Trask, W. D. S. Motherwell and W. Jones,
The crystal structure of an unstable polymorph of beta-D-allose,
Crystengcomm, 2004, 6, 535-539.

J. W. G. Bos and J. P. Attfield,
Structural, magnetic, and transport properties of (La1+xSr1- x)CoRuO6 double perovskites,
Chem. Mat., 2004, 16, 1822-1827.

J. W. G. Bos and J. P. Attfield,
Control of antisite disorder, magnetism, and asymmetric doping effects in (La1+xCa1-x)CoRuO6 double perovskites,
Phys. Rev. B, 2004, 69, art. no.-094434.

S. R. Boss, J. M. Cole, R. Haigh, R. Snaith, A. E. H. Wheatley, G. J. McIntyre and P. R. Raithby,
Hydride encapsulation by a molecular main-group-metal cluster: Single-crystal neutron diffraction structure of {Ph(2- C5H4N}(6)HLi8 (+),
Organometallics, 2004, 23, 4527-4530.

S. R. Boss, R. Haigh, D. J. Linton and A. E. H. Wheatley,
Toward an understanding of the oxygen scavenging properties of lithium zincates,
Phosphorus Sulfur Silicon Relat. Elem., 2004, 179, 929-930.

C. F. Braban and J. P. D. Abbatt,
A study of the phase transition behavior of internally mixed ammonium sulfate-malonic acid aerosols,
Atmos. Chem. Phys., 2004, 4, 1451-1459.

P. Braesicke and J. A. Pyle,
Sensitivity of dynamics and ozone to different representations of SSTs in the Unified Model,
Q. J. R. Meteorol. Soc., 2004, 130, 2033-2045.

W. Braun, H. P. Steinruck and G. Held,
The surface geometry of carbon monoxide and oxygen co-adsorbed on Ni{111},
Z. Phys. Chemie-Int. J. Res. Phys. Chem. Chem. Phys., 2004, 218, 915-927.

N. Bremeyer, M. W. J. Gaunt and S. V. Ley,
Development of an organocatalytic intramolecular cyclopropanation reaction,
Abstr. Pap. Am. Chem. Soc., 2003, 225, 368-ORGN.

N. Bremeyer, S. C. Smith, S. V. Ley and M. J. Gaunt,
An intramolecular organocatalytic cyclopropanation reaction,
Angew. Chem.-Int. Edit., 2004, 43, 2681-2684.

A. Bruckbauer, D. J. Zhou, L. M. Ying, C. Abell and D. Klenerman,
A simple voltage controlled enzymatic nanoreactor produced in the tip of a nanopipet,
Nano Lett., 2004, 4, 1859-1862.

A. Bruckbauer, D. J. Zhou, D. J. Kang, Y. E. Korchev, C. Abell and D. Klenerman,
An addressable antibody nanoarray produced on a nanostructured surface,
J. Am. Chem. Soc., 2004, 126, 6508-6509.

M. Bucciantini, G. Calloni, F. Chiti, L. Formigli, D. Nosi, C. M. Dobson and M. Stefani,
Prefibrillar amyloid protein aggregates share common features of cytotoxicity,
J. Biol. Chem., 2004, 279, 31374-31382.

D. J. Buchanan, D. J. Dixon and F. A. Hernandez-Juan,
Highly stereoselective oxy-Michael additions to alpha,beta- disubstituted nitro olefins: asymmetric synthesis of pseudo- norephedrine derivatives and THP* protected alpha-hydroxy ketones,
Org. Biomol. Chem., 2004, 2, 2932-2934.

D. J. Buchanan, D. J. Dixon and F. A. Hernandez-Juan,
Highly stereoselective intermolecular oxy-Michael addition reaction to alpha,beta-unsaturated malonate esters,
Org. Lett., 2004, 6, 1357-1360.

D. J. Buchanan, D. J. Dixon, M. S. Scott and D. I. Laine,
Short asymmetric syntheses of bioactive beta-aryl ethanolamine derivatives via the highly diastereoselective delta lactol oxy- Michael addition,
Tetrahedron: Asymmetry, 2004, 15, 195-197.

A. D. Buckingham,
Chirality in NMR spectroscopy,
Chem. Phys. Lett., 2004, 398, 1-5.

M. J. C. Buckle, I. Fleming, S. Gil and K. L. C. Pang,
Accurate determinations of the extent to which the S(E)2 ' reactions of allyl-, allenyl- and propargylsilanes are stereospecifically anti,
Org. Biomol. Chem., 2004, 2, 749-769.

M. F. Buffet, D. J. Dixon, S. V. Ley, D. J. Reynolds and R. I. Storer,
Anomeric oxygen to carbon rearrangements of alkynyl tributylstannane derivatives of furanyl (gamma)- and pyranyl (delta)-lactols,
Org. Biomol. Chem., 2004, 2, 1145-1154.

E. M. M. Bulloch, M. A. Jones, E. J. Parker, A. P. Osborne, E. Stephens, G. M. Davies, J. R. Coggins and C. Abell,
Identification of 4-amino-4-deoxychorismate synthase as the molecular target for the antimicrobial action of (6S)-6- fluoroshikimate,
J. Am. Chem. Soc., 2004, 126, 9912-9913.

R. Burcl, S. Carter and N. C. Handy,
Infrared intensities of furan, pyrrole and thiophene: beyond the double harmonic approximation,
Phys. Chem. Chem. Phys., 2004, 6, 340-343.

J. W. Burton, D. G. Hulcoop and H. M. Sheldrake,
New syntheses of oxygen heterocycles mediated by manganese(III) acetate,
Abstr. Pap. Am. Chem. Soc., 2003, 226, 727-ORGN.

M. Buswell, I. Fleming, U. Ghosh, S. Mack, M. Russell and B. P. Clark,
The extraordinary reactions of phenyldimethylsilyllithium with N,N-disubstituted amides,
Org. Biomol. Chem., 2004, 2, 3006-3017.

T. Buttler and I. Fleming,
A synthesis of (+/-)-sparteine,
Chem. Commun., 2004, 2404-2405.

A. J. Callaghan, J. P. Aurikko, L. L. Iiag, J. G. Grossmann, V. Chandran, K. Kuhnel, L. Poljak, A. J. Carpousis, C. V. Robinson, M. F. Symmons and B. F. Luisi,
Studies of the RNA degradosome-organizing domain of the Escherichia coli ribonuclease RNase E,
J. Mol. Biol., 2004, 340, 965-979.

F. Calvo and J. P. K. Doye,
Pressure effects on the structure of nanoclusters,
Phys. Rev. B, 2004, 69, art. no.-125414.

K. E. Cano, M. J. Thrippleton, J. Keeler and A. J. Shaka,
Cascaded z-filters for efficient single-scan suppression of zero-quantum coherence,
J. Magn. Reson., 2004, 167, 291-297.

S. Carter and N. C. Handy,
Rovibrational energy levels of hydrogen peroxide, studied by MULTIMODE with a reaction path Hamiltonian,
Spectroc. Acta Pt. A-Molec. Biomolec. Spectr., 2004, 60, 2107-2111.

S. Carter, N. C. Handy and P. Rosmus,
Comment on: "The renner effect in triatomic molecules with application to CH2+, MgNC and NH2" by P. Jensen, T.E. Odaka, W.P. Kraemer, T. Hirano and P.R. Bunker (Spectrochimica Acta A58 763-794 (2002)),
Spectroc. Acta Pt. A-Molec. Biomolec. Spectr., 2004, 60, 735-736.

M. Castro, D. Griffiths, A. Patel, N. Pattrick, C. Kitson and M. Ladlow,
Effect of chain length on transfection properties of spermine- based gemini surfactants,
Org. Biomol. Chem., 2004, 2, 2814-2820.

J. Cerda, A. Michaelides, M. L. Bocquet, P. J. Feibelman, T. Mitsui, M. Rose, E. Fomin and M. Salmeron,
Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory,
Phys. Rev. Lett., 2004, 93, art. no.-116101.

R. J. Cernik, P. Barnes, G. Bushnell-Wye, A. J. Dent, G. P. Diakun, J. V. Flaherty, G. N. Greaves, E. L. Heeley, W. Helsby, S. D. M. Jacques, J. Kay, T. Rayment, A. Ryan, C. C. Tang and N. J. Terrill,
The new materials processing beamline at the SRS Daresbury, MPW6.2,
J. Synchrot. Radiat., 2004, 11, 163-170.

J. Chakrabarti, J. Dzubiella and H. Lowen,
Reentrance effect in the lane formation of driven colloids,
Phys. Rev. E, 2004, 70, art. no.-012401.

G. K. L. Chan, M. Kallay and J. Gauss,
State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curve,
J. Chem. Phys., 2004, 121, 6110-6116.

G. K. L. Chan,
An algorithm for large scale density matrix renormalization group calculations,
J. Chem. Phys., 2004, 120, 3172-3178.

N. P. Cheah, L. Messe and S. M. Clarke,
The formation of solid monolayers of linear amines adsorbed on graphite from the liquid,
J. Phys. Chem. B, 2004, 108, 4466-4469.

R. Chen, I. Valencia, F. Zhong, K. S. McColl, H. L. Roderick, M. D. Bootman, M. J. Berridge, S. J. Conway, A. B. Holmes, G. A. Mignery, P. Velez and C. W. Distelhorst,
Bcl-2 functionally interacts with inositol 1,4,5-trisphosphate receptors to regulate calcium release from the ER in response to inositol 1,4,5-trisphosphate,
J. Cell Biol., 2004, 166, 193-203.

R. Chopra, N. Shan, W. D. S. Motherwell and W. Jones,
2-(p-nitrophenoxy)tetrahydropyran,
Acta Crystallogr. Sect. E.-Struct Rep. Online, 2004, 60, O1923-O1924.

O. W. Choroba and J. B. Spencer,
Biochemical characterisation of 4-hydroxymandelate synthase (HMAS): A non-haem iron-dependent dioxygenase,
Abstr. Pap. Am. Chem. Soc., 2003, 226, 124-BIOL.

J. K. Christie, S. N. Taraskin and S. R. Elliott,
Structural characteristics of positionally disordered lattices: Relation to the first sharp diffraction peak in glasses,
Phys. Rev. B, 2004, 70, art. no.-134207.

J. Christodoulou, G. Larsson, P. Fucini, S. R. Connell, T. A. Pertinhez, C. L. Hanson, C. Redfield, K. H. Nierhaus, C. V. Robinson, J. Schleucher and C. M. Dobson,
Heteronuclear NMR investigations of dynamic regions of intact Escherichia coli ribosomes,
Proc. Natl. Acad. Sci. U. S. A., 2004, 101, 10949-10954.

J. Christodoulou, A. Malmendal, J. F. Harper and W. J. Chazin,
Evidence for differing roles for each lobe of the calmodulin- like domain in a calcium-dependent protein kinase,
J. Biol. Chem., 2004, 279, 29092-29100.

A. Clark and M. R. Nilsson,
Islet amyloid: a complication of islet dysfunction or an aetiological factor in Type 2 diabetes?,
Diabetologia, 2004, 47, 157-169.

C. S. Clarke, S. I. Pascu and J. M. Rawson,
Further studies on the polymorphic dithiadiazolyl radical, ClCNSSN,
Crystengcomm, 2004, 6, 79-82.

J. Clayden, C. C. Stimson, M. Keenan and A. E. H. Wheatley,
Fast racemisation and slow epimerisation of laterally lithiated amides: stereochemical evidence for the mechanism of inversion of amide-substituted benzyllithiums,
Chem. Commun., 2004, 228-229.

E. Cleator, C. F. McCusker, F. Steltzer and S. V. Ley,
Grignard additions to 2-uloses: synthesis of stereochemically pure tertiary alcohols,
Tetrahedron Lett., 2004, 45, 3077-3080.

E. Cleator, J. Harter and S. V. Ley,
The synthesis of (-)-gloeosporone, a potent fungal autoinhibitor of spore germination using a pi-allyltricarbonyl- iron lactone complex and a new reductive decomplexation procedure for the installation of the embedded 1,7-diol component of the natural product,
Heterocycles, 2004, 62, 619-633.

A. J. A. Cobb, D. A. Longbottom, D. M. Shaw and S. V. Ley,
5-Pyrrolidin-2-yltetrazole as an asymmetric organocatalyst for the addition of ketones to nitro-olefins,
Chem. Commun., 2004, 1808-1809.

A. J. A. Cobb, D. M. Shaw and S. V. Ley,
5-pyrrolidin-2-yltetrazole: A new, catalytic, more soluble alternative to proline in an organocatalytic asymmetric Mannich-type reaction,
Synlett, 2004, 558-560.

A. J. Cohen, N. C. Handy and B. O. Roos,
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A. B. Holmes, T. Park, N. Schulte, S. A. Haque, J. H. Durrant, L. Otley, R. J. Potter, C. Im and H. Baessler,
New conjugated hole transport materials for solar cells,
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A. D. Hopkins and D. S. Wright,
A new low-temperature synthesis of zintl compounds,
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H. T. Horsley, A. B. Holmes, J. E. Davies, J. M. Goodman, M. A. Silva, S. I. Pascu and I. Collins,
Nitrone dipolar cycloaddition routes to piperidines and indolizidines part 10 - Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors,
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Y. C. Hou, S. J. Jenkins and D. A. King,
Surface infra-red emission during alkaki-metal incorporation at an oxide surface,
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W. T. S. Huck and M. Khan,
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D. G. Hulcoop, H. M. Sheldrake and J. W. Burton,
Manganese(III) acetate mediated synthesis of oxygen heterocycles. Influence of copper(II) salts on product distribution,
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S. M. Humphrey and P. T. Wood,
Multiple areas of magnetic bistability in the toplogical ferrimagnet Co-3(NC5H3(CO2)(2)-2,5)(2)(mu(3)-OH)(2)(OH2)(2),
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S. M. Humphrey, R. A. Mole, J. M. Rawson and P. T. Wood,
Hydrothermal synthesis and magnetic properties of novel Mn(II) and Zn(II) materials with thiolato-carboxylate donor ligand frameworks,
Dalton Trans., 2004, 1670-1678.

L. L. Ilag, I. Ubarretxena-Belandia, C. G. Tate and C. V. Robinson,
Drug binding revealed by tandem mass spectrometry of a protein- micelle complex,
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L. L. Ilag, L. F. Westblade, C. Deshayes, A. Kolb, S. J. W. Busby and C. V. Robinson,
Mass spectrometry of Escherichia coli RNA polymerase: Interactions of the core enzyme with sigma(70) and Rsd protein,
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I. M. Irurzun, R. B. Hoyle, M. R. E. Proctor and D. A. King,
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I. M. Irurzun, R. Imbihl, J. L. Vicente and E. E. Mola,
An analysis of turbulent states in the NH3+NO reaction on Pt{100},
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E. Jaikaran, M. R. Nilsson and A. Clark,
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U. Janakiraman, K. Doblhofer, C. Fischmeister and A. B. Holmes,
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C. P. Jaroniec, C. E. MacPhee, V. S. Bajaj, M. T. McMahon, C. M. Dobson and R. G. Griffin,
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P. Jemth, S. Gianni, R. Day, B. Li, C. M. Johnson, V. Daggett and A. R. Fersht,
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A. C. Joerger, M. D. Allen and A. R. Fersht,
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B. F. G. Johnson, T. Khimyak, F. W. Wansel, G. Phillips, S. Hermans and J. R. Adams,
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D. Johnson, P. Cassanelli and R. A. Cox,
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D. Johnson, D. W. Price and G. Marston,
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D. Johnson, P. Cassanelli and R. A. Cox,
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M. D. Jones, F. A. A. Paz, J. E. Davies, R. Raja, M. Duer, J. Klinowski and B. F. G. Johnson,
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D. D. Jones and P. D. Barker,
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R. A. Kammerer, D. Kostrewa, J. Zurdo, A. Detken, C. Garcia-Echeverria, J. D. Green, S. A. Muller, B. H. Meier, F. K. Winkler, C. M. Dobson and M. O. Steinmetz,
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J. Kaneti, A. J. Kirby, A. H. Koedjikov and I. G. Pojarlieff,
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G. Kappe, J. A. Aquilina, L. Wunderink, B. Kamps, C. V. Robinson, T. Garate, W. C. Boelens and W. W. de Jong,
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A. D. Karmazyn, V. Fiorin and D. A. King,
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W. C. Kaska, H. A. Mayer, M. R. J. Elsegood, P. N. Horton, M. B. Hursthouse, C. Redshaw and S. M. Humphrey,
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N. N. Kasri, A. M. Holmes, G. Bultynck, J. B. Parys, M. D. Bootman, K. Rietdorf, L. Missiaen, F. McDonald, H. De Smedt, S. J. Conway, A. B. Holmes, M. J. Berridge and H. L. Roderick,
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M. S. Khan, M. R. A. Al-Mandhary, M. K. Al-Suti, F. R. Al-Battashi, S. Al-Saadi, B. Ahrens, J. K. Bjernemose, M. F. Mahon, P. R. Raithby, M. Younus, N. Chawdhury, A. Kohler, E. A. Marseglia, E. Tedesco, N. Feeder and S. J. Teat,
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T. Khimyak and B. F. G. Johnson,
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A. J. Kirby, M. F. Lima, D. da Silva and F. Nome,
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B. Kleinsorge, V. B. Golovko, S. Hofmann, J. Geng, D. Jefferson, J. Jefferson and B. F. G. Johnson,
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D. M. Korzhnev, X. Salvatella, M. Vendruscolo, A. A. Di Nardo, A. R. Davidson, C. M. Dobson and L. Kay,
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D. M. Korzhnev, X. Salvatella, M. Vendruscolo, A. A. Di Nardo, A. R. Davidson, C. M. Dobson and L. E. Kay,
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V. Krakoviack, B. Rotenberg and J. P. Hansen,
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M. R. H. Krebs, C. E. MacPhee, A. F. Miller, L. E. Dunlop, C. M. Dobson and A. M. Donald,
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M. R. H. Krebs, L. A. Morozova-Roche, K. Daniel, C. V. Robinson and C. M. Dobson,
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Y. Krishnan-Ghosh, D. S. Liu and S. Balasubramanian,
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Y. Krishnan-Ghosh, E. Stephens and S. Balasubramanian,
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J. H. Kristensen, N. Bampos and M. Duer,
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I. F. W. Kuo, C. J. Mundy, M. J. McGrath, J. I. Siepmann, J. VandeVondele, M. Sprik, J. Hutter, B. Chen, M. L. Klein, F. Mohamed, M. Krack and M. Parrinello,
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E. Kupce and R. Freeman,
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E. Kupce and R. Freeman,
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E. Kupce and R. Freeman,
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E. Kupce and R. Freeman,
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S. Ladame, J. A. Schouten, J. Stuart, J. Roldan, S. Neidle and S. Balasubramanian,
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L. Laffont, M. Weyland, R. Raja, J. M. Thomas and P. A. Midgley, Electron tomography of heterogeneous catalysts, 2004, 459-462.

A. Laio, F. L. Gervasio, J. VandeVondele, M. Sulpizi and U. Rothlisberger,
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R. M. Lambert,
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R. M. Lambert,
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D. J. Lary, M. D. Muller and H. Y. Mussa,
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R. A. Layfield and S. M. Humphrey,
A manganese(II) allyl complex: Synthesis, structure, and magnetic properties of Li(thf)(4) Mn{eta(3)- (Me3Si)(2)C3H3}{eta(1)-(Me3Si)(2)C3H3}(2),
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C. K. Y. Lee, A. B. Holmes, B. Al-Duri, G. A. Leeke, R. C. D. Santos and J. P. K. Seville,
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G. A. Leeke, R. C. Santos, J. Seville, B. Al-Duri, C. K. Y. Lee and A. B. Holmes,
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N. Lentze, J. A. Aquilina, M. Lindbauer, C. V. Robinson and F. Narberhaus,
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S. V. Ley,
Development of new methods suitable for natural product synthesis,
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S. V. Ley, D. J. Dixon, G. L. Nattrass and E. Diez-Martin,
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S. V. Ley, S. F. Oliver, K. Hogenauer and O. Simic,
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S. V. Ley, A. Antonello, E. P. Balskus, D. T. Booth, S. B. Christensen, E. Cleator, H. Gold, K. Hogenauer, U. Hunger, R. M. Myers, S. F. Oliver, O. Simic, M. D. Smith, H. Sohoel and A. J. A. Woolford,
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S. V. Ley and P. Michel,
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S. V. Ley,
Preface - In honor of Professor Leo A. Paquette and on the occasion of his 70th birthday,
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H. Li, L. Ying, X. Ren, S. Balasubramanian and D. Klenerman,
Fluorescence studies of single biomolecules,
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H. T. Li, X. J. Ren, L. M. Ying, S. Balasubramanian and D. Klenerman,
Measuring single-molecule nucleic acid dynamics in solution by two-color filtered ratiometric fluorescence correlation spectroscopy,
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H. W. Li and W. T. S. Huck,
Ordered block-copolymer assembly using nanoimprint lithography,
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H. T. Li, D. J. Zhou, H. Browne, S. Balasubramanian and D. Klenerman,
Molecule by molecule direct and quantitative counting of antibody-protein complexes in solution,
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X. Li, C. Abell, M. S. Congreve, B. H. Warrington and M. Ladlow,
A novel phase-switching protecting group for multi-step parallel solution phase synthesis,
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T. L. Li, F. L. Huang, S. F. Haydock, T. Mironenko, P. F. Leadlay and J. B. Spencer,
Biosynthetic gene cluster of the glycopeptide antibiotic teicoplanin: Characterization of two glycosyltransferases and the key acyltransferase,
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K. Lindorff-Larsen, M. Vendruscolo, E. Paci and C. M. Dobson,
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K. Lindorff-Larsen, S. Kristjansdottir, K. Teilum, W. Fieber, C. M. Dobson, F. M. Poulsen and M. Vendruscolo,
Determination of an ensemble of structures representing the denatured state of the bovine acyl-coenzyme a binding protein,
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Z. P. Liu, S. J. Jenkins and D. A. King,
Role of nanostructured dual-oxide supports in enhanced catalytic activity: Theory of CO oxidation over Au/IrO2/TiO2,
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Z. P. Liu, S. J. Jenkins and D. A. King,
Car exhaust catalysis from first principles: Selective NO reduction under excess O-2 conditions on Ir,
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Z. P. Liu, S. J. Jenkins and D. A. King,
Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)(2) dimer,
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X. M. Liu, J. A. McAllister, M. P. de Miranda, E. J. L. McInnes, C. A. Kilner and M. A. Halcrow,
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N. P. Lopes, C. B. W. Stark, J. Staunton and P. J. Gates,
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P. A. S. Lowden, G. A. Bohm, S. Metcalfe, J. Staunton and P. F. Leadlay,
New rapamycin derivatives by precursor-directed biosynthesis,
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A. Y. Lozovoi and A. Alavi,
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D. Lynden-Bell and R. M. Lynden-Bell,
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R. N. MacCoss, P. E. Brennan and S. V. Ley,
Synthesis of carbohydrate derivatives using clean chemistry,
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R. N. MacCoss, D. J. Henry, C. T. Brain and S. V. Ley,
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N. Macleod, J. M. Keel and R. M. Lambert,
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N. Macleod, R. Cropley, J. M. Keel and R. M. Lambert,
Exploiting the synergy of titania and alumina in lean NOx reduction: in situ ammonia generation during the Pd/TiO2/Al2O3- catalysed H-2/CO/NO/O-2 reaction,
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S. Mann, C. P. Melero, D. Hawksley and F. J. Leeper,
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S. Margadonna, K. Prassides and A. N. Fitch,
Zero thermal expansion in a Prussian blue analogue,
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S. Margadonna, D. Pontiroli, M. Belli, T. Shiroka, M. Ricco and M. Brunelli,
Li4C60: A polymeric fulleride with a two-dimensional architecture and mixed interfullerene bonding motifs,
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S. Margadonna, K. Prassides, A. N. Fitch, J. R. Salvador and M. G. Kanatzidis,
Valence instabilities, phase transitions, and abrupt lattice expansion at 5 K in the YbGaGe system,
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N. J. Marianayagam and S. E. Jackson,
The folding pathway of ubiquitin from all-atom molecular dynamics simulations,
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P. M. Marsden, D. Puvanendrampillai, J. B. O. Mitchell and R. C. Glen,
Predicting protein-ligand binding affinities: a low scoring game?,
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C. J. Martin, M. C. Timoney, R. M. Sheridan, S. G. Kendrew, B. Wilkinson, J. Staunton and P. F. Leadlay,
Heterologous expression in Saccharopolyspora erythraea of a pentaketide synthase derived from the spinosyn polyketide synthase,
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M. G. McCammon, H. Hernandez, F. Sobott and C. V. Robinson,
Tandem mass spectrometry defines the stoichiometry and quaternary structural arrangement of tryptophan molecules in the multiprotein complex TRAP,
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M. G. McCammon and C. V. Robinson,
Structural change in response to ligand binding,
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S. J. McGall, P. B. Davies and D. J. Neivandt,
Interference effects in sum frequency vibrational spectra of thin polymer films: an experimental and modeling investigation,
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S. H. McLaughlin, L. A. Ventouras, B. Lobbezoo and S. E. Jackson,
Independent ATPase activity of Hsp90 subunits creates a flexible assembly platform,
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A. C. McLaughlin, J. P. Attfield, R. S. Liu, L. Y. Jang and W. Z. Zhou,
Studies of microstructure and ruthenium valence in the ruthenocuprates Pb2RuSr2Cu2O8Cl and (Ru, M)Sr2GdCu2O8 (M= Sn, Nb),
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S. Meehan, Y. Berry, B. Luisi, C. M. Dobson, J. A. Carver and C. E. MacPhee,
Amyloid fibril formation by lens crystallin proteins and its implications for cataract formation,
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A. Meyer, R. D. M. Davies, A. Heimann, R. Marquez and I. Paterson,
Studies toward the total synthesis of the callipeltosides,
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A. Michaelides, A. Alavi and D. A. King,
Insight into H2O-ice adsorption and dissociation on metal surfaces from first-principles simulations,
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A. Michaelides, V. A. Ranea, P. L. de Andres and D. A. King,
First-principles study of H2O diffusion on a metal surface: H2O on Al{100},
Phys. Rev. B, 2004, 69, art. no.-075409.

S. J. Mickel, G. H. Sedelmeier, D. Niederer, F. Schuerch, M. Seger, K. Schreiner, R. Daeffler, A. Osmani, D. Bixel, O. Loiseleur, J. Cercus, H. Stettler, K. Schaer, R. Gamboni, A. Bach, G. P. Chen, W. C. Chen, P. Geng, G. T. Lee, E. Loeser, J. McKenna, F. R. Kinder, K. Konigsberger, K. Prasad, T. M. Ramsey, N. Reel, O. Repic, L. Rogers, W. C. Shieh, R. M. Wang, L. Waykole, S. Xue, G. Florence and I. Paterson,
Large-scale synthesis of the anti-cancer marine natural product (+)-discodermolide. Part 4: Preparation of fragment C7-24,
Org. Process Res. Dev., 2004, 8, 113-121.

S. J. Mickel, D. Niederer, R. Daeffler, A. Osmani, E. Kuesters, E. Schmid, K. Schaer, R. Gamboni, W. C. Chen, E. Loeser, F. R. Kinder, K. Konigsberger, K. Prasad, T. M. Ramsey, J. Repic, R. M. Wang, G. Florence, I. Lyothier and I. Paterson,
Large-scale synthesis of the anti-cancer marine natural product (+)-discodermolide. Part 5: Linkage of fragments C1-6 and C7-24 and finale,
Org. Process Res. Dev., 2004, 8, 122-130.

T. F. Middleton and D. J. Wales,
Comparison of kinetic Monte Carlo and molecular dynamics simulations of diffusion in a model glass former,
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P. A. Midgley, J. M. Thomas, L. Laffont, M. Weyland, R. Raja, B. F. G. Johnson and T. Khimyak,
High-resolution scanning transmission electron tomography and elemental analysis of zeptogram quantities of heterogeneous catalyst,
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M. A. Miller and D. Frenkel,
Simulating colloids with Baxter's adhesive hard sphere model,
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