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Al-Ghoul, M; Boon, JP; Coveney, PV; (2004) Connecting scales: micro, meso and macro processes - Preface. PHILOS T R SOC A , 362 (1821) 1551 - 1552.

Aliev, AE; (2004) Backbone dynamics in collagen. CHEM PHYS LETT , 398 (4-6) 522 - 525. 10.1016/j.cplett.2004.09.114.

Aliev, AE; Law, RV; (2004) Solid-state NMR Spectroscopy. In: Specialist Periodical Reports: Nuclear Magnetic Resonance. (pp. 233-305).

Arce, AJ; Chierotti, M; De Sanctis, Y; Gobetto, R; Deeming, AJ; (2004) Low-temperature allene coupling and isomerization at triosmium clusters. INORG CHIM ACTA , 357 pp. 3799-3803.

Arnold, D.C.; (2004) Structure and electronic properties of porous manganese oxides. Doctoral thesis, University of London. Green open access


Bangura, A; Coldea, AI; Singleton, J; Ardavan, A; Akutsu-Sato, A; Akutsu, H; Day, P; (2004) Effect of Magnetic Ions and Disorder on Superconducting beta"-(BEDT-TTF)4[(H3O)M(C2O4)3]C6H5NO2 Salts. Journal de Physique IV , 114 pp. 285-287.

Begis, G.; (2004) Studies on the generation and use of functionalised organozinc carbenoids for the synthesis of aminocyclopropanes and related congeners. Doctoral thesis, University of London. Green open access

Bellerby, JM; Blackman, CS; (2004) The interaction between otto fuel II and aqueous hydroxylammonium perchlorate (HAP), Part II: Gas evolution and changes in HAP solution acidity. Propellants, Explosives, Pyrotechnics , 29 (6) pp. 354-358. 10.1002/prep.200400066.

Betson, M; Barker, JA; Barnes, P; Atkinson, TC; Jupe, A; (2004) Porosity imaging in porous media using synchrotron tomographic techniques. Transport in Porous Media , 55 p. 12.

Blackman, C.S.; Carmalt, C.J.; O'Neill, S.A.; Parkin, I.P.; Apostolico, L.; Molloy, K.C.; (2004) Atmospheric-pressure chemical vapor deposition of group IVb metal phosphide thin films from tetrakisdimethylamidometal complexes and cyclohexylphosphine. Chemistry of Materials , 16 (6) pp. 1120-1125. 10.1021/cm031161f.

Boakes, G.; (2004) Kinetics and mechanisms of halogen reactions involved in atmospheric ozone depletion. Doctoral thesis, University of London. Green open access

Boulet, P; Coveney, PV; Stackhouse, S; (2004) Large Scale Molecular Dynamics Simulations of the Hydration of Clay Minerals. Chemical Physics Letters , 389 (4-6) pp. 261-267.

Branford, WR; Clowes, SK; Bugoslavsky, YV; Gardelis, S; Androulakis, J; Giapintzakis, J; Grigorescu, CEA; (2004) Thickness dependence of Hall transport in Ni1.15Mn0.85Sb thin films on silicon. Physical Review B , 69 (20) 201305-.

Brown, RJ; Calnarasa, G; Griffiths, JP; Day, P; Wallis, JD; (2004) Synthesis of BEDT-TTF Derivativeswith Carboxylic Ester and Amide Functionalities. Tetrahedron Letters , 45 pp. 5103-5107.

Bull, CL; McMillan, PF; Itié, JP; Polian, A; (2004) X-ray absorption and EXAFS studies of Ge coordination and bonding in high-pressure nitrides: β-Ge3N4 (phenacite) and γ-Ge3N4 (spinel). Physica Status Solidi (A) Applied Research , 201 (5) pp. 909-916. 10.1002/pssa.200306786.

Bull, CL; Soignard, E; McMillan, PF; (2004) Raman scattering study of elpasolite perovskites Ln2(BB')O6 (Ln=La,Sm,Gd) and B,B'=(Ni,Co,Mn). J SOLID STATE CHEM

Bull, CM; McMillan, PF; Soignard, E; Leinenweber, K; (2004) Structure determination of delta-MoN prepared at high pressure and high temperature by neutron and X-ray diffraction. J SOLID STATE CHEM , 177 pp. 1488-1492.

Butler, AR; Ridd, JH; (2004) Formation of nitric oxide from nitrous acid in isochemic tissue and skin. Nitric Oxide , 10 pp. 20-24.


Cai, Y; Dang, H-S; Roberts, BP; (2004) Radical-chain functionalisation at C-H centres using an O-oxiranylcarbinyl O-silyl ketene acetal. Tetrahedron Letters , 45 pp. 4405-4409.

Cai, Y; Roberts, BP; (2004) Vicinal alkylation-carboxymethylation of electron-poor alkenes by radical-chain reactions with O-alkyl O-silyl ketene acetals and their [3+2] annulation by reaction with O-cyclopropylcarbinyl O-silyl ketene acetals. Tetrahedron Letters , 45 pp. 1485-1488.

Carmalt, C.J.; Manning, T.D.; Parkin, I.P.; Peters, E.S.; Hector, A.L.; (2004) Formation of a new (1T) trigonal NbS2 polytype via atmospheric pressure chemical vapour deposition. Journal of Materials Chemistry , 14 (3) pp. 290-291. 10.1039/b315782m.

Carruthers, A.L.; (2004) Laboratory and modelling studies of the sorption of arsenic on goethite. Doctoral thesis, University of London. Green open access

Caruana, DJ; (2004) Oligonucleotide Hybridisation at Solid surfaces. In: Cass, A and Cooper, J, (eds.) Biosensors a Practical Approach. (pp. 19-38). Oxford University Press

Catlow, CRA; Bell, RG; Slater, B; (2004) Static lattice modelling and structure prediction of micro- and mesoporous materials. In: Catlow, CRA and van Santen, RA and Smit, B, (eds.) Computer Modelling of Microporous Materials. Elsevier: Amsterdam.

Cernik, RJ; Barnes, P; Bushnell-Wye, G; Dent, AJ; Diakun, GP; Flaherty, JV; Greaves, GN; (2004) The new materials processing beamline at the SRS Daresbury, MPW6.2. J SYNCR RAD , 11 pp. 163-170.

Chaudhuri, S; Chupas, PJ; Wilson, M; Madden, P; Grey, CP; (2004) Study of the nature and mechanism of the rhombohedral-to-cubic phase transition in α-AlF<inf>3</inf> with molecular dynamics simulations. Journal of Physical Chemistry B , 108 (11) pp. 3437-3445.

Chen, B.; Evans, J.R.G.; (2004) Preferential intercalation in polymer-clay nanocomposites. The Journal of Physical Chemistry B , 108 (39) pp. 14986-14990. 10.1021/jp040312e.

Clark, RJH; Murphy, M; (2004) The Raman Effect authenticating Old Masters: The Art of Deception. CHEM AND IND (19) pp. 10-12.

Clowes, SK; Miyoshi, Y; Bugoslavsky, Y; Branford, WR; Grigorescu, C; Manea, SA; Monnereau, O; (2004) Spin polarization of the transport current at the free surface of bulk NiMnSb. Physical Review B , 69 (21) 214425-.

Coldea, A; Bangura, A; Singleton, J; Ardavan, A; Akutsu-Sato, A; Akutsu, H; Day, P; (2004) Fermiology of the New Charge Transfer Salts beta"-(BEDT-TTF)4[(H3O)M(C2O4)3](solvent) where M=Cr,Fe,Ga. Journal de Physique IV , 114 pp. 205-209.

Coldea, A; Bangura, A; Singleton, J; Ardavan, A; Akutsu-Sato, A; Akutsu, H; Turner, SS; (2004) Fermi-surface topology and the effects of intrinsic disorder in charge-transfer salts containing magnetic ions: β"-(BEDT-TTF)<sub>4</sub>[(H<sub>3</sub>O)M(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]Y(M=Ga, Cr, Fe; Y=C<sub>5</sub>H<sub>5</sub>N). Physical Review B , 69 (8) , Article 085112. 10.1103/PhysRevB.69.085112. Green open access

Coldea, A; Bangura, A; Singleton, J; Ardavan, A; Akutsu-Sato, A; Akutsu, H; Turner, SS; (2004) The Role of Magnetic Ions on the Magneto-transport Properties of the Charge Transfer Salts beta"-(BEDT-TTF)4[(H3O)M(C2O4)3]C5H5N (M=Ga,Cr,Fe). Journal of Magnetism and Magnetic Materials , 272-27 pp. 1062-1064.

Cometto-Muniz, JE; Cain, WS; Abraham, MH; (2004) Detection of single and mixed VOCs by smell and by sensory irritation. Indoor Air , 14 (Suppl.) pp. 1-10.

Cooper, TG; de Leeuw, NH; (2004) A computer modelling study of the sorption of organic molecules to planar and stepped {111} surfaces of calcium fluoride. J MATER CHEM , 14 pp. 1927-1935.

Coronado, E; Day, P; (2004) Magnetic Molecular Conductors. Chemical Reviews , 104 pp. 5419-5448. 10.1021/cr030641n.

Coveney, PV; Harvey, MJ; (2004) Europe: AG aids RealityGrid and the TeraGyroid Project. AG Focus , 2 (1) 4-.


Daniels, BG; Schedin, F; Bikondoa, O; Thornton, G; (2004) A surface x-ray diffraction study of Ni(110)c(2x2)-CN. SURF SCI , 566-56 pp. 921-925.

Darr, JA; Guo, ZX; Raman, V; Bououdina, M; Rehman, IU; (2004) Metal Organic Chemical Vapour Deposition of Bone Mineral like Carbonated Hydroxyapatite Coatings. Chemical Communications pp. 696-697. 10.1039/b312855p.

Davies, AG; (2004) Organotin Chemistry, Second Edition. [Book]. (Second ed.). Wiley-VCH, Weinheim

Davies, DJ; Faust, R; Garratt, PJ; Marovingt-Mounir, C; Davidson, K; Teh, M; Sugden, D; (2004) Binding Affinity and Biological Activity of Oxygen and Sulfur Isosteres at Melatonin Receptors as a Function of their Hydrogen Bonding Capability. Bioorganic Chemistry , 32 pp. 1-12.

Day, P; (2004) Apologia: 40 Years of Physics and Chemistry of Solids. Journal of Physics and Chemistry of Solids , 65 pp. 3-10.

Day, P; (2004) Organic-Inorganic Hybrids: The Best of Both Worlds? In: Ouhab, L and Yagubskii, E, (eds.) Organic Conductors, Superconductors and Magnets. (pp. 68-80). Kluwer Academic Publishers: Dordrecht.

De Sanctis, Y; Arce, AJ; Canavera, F; Machado, R; Deeming, AJ; Gonzales, T; Galarza, E; (2004) A zwitterionic triosmium cluster bearing a metallated azulene ligand coordinated perpendicularly as an alkylidene bridge. J ORGANOMET CHEM , 689 pp. 2025-2028.

Deeming, AJ; Hassan, MM; Kabir, SE; Nordlander, E; Tocher, DA; (2004) Oxidative addition of silanes R<sub>3</sub>SiH to the unsaturated cluster [Os<sub>3</sub>(μ-H){μ<sub>3</sub>-Ph<sub>2</sub>PCH<sub>2</sub>PPh(C<sub>6</sub>H<sub>4</sub>)}(CO)<sub>8</sub>]: Evidence for reversible silane formation in the dynamic. Dalton Transactions pp. 3709-3714.

Domostoj, MM; Irving, E; Scheinmann, F; Hale, KJ; (2004) A New Total Synthesis of the Marine Antitumor Alkaloid (-)-Agelastatin A. ORGANIC LETTERS , 6 pp. 2615-2618.

Dougalis, A; Lees, G; Ganellin, CR; (2004) The sleep inducing brain lipid cis-oleamide (cOA) does not modulate sertonergic transmission in the CA1 pyramidal neurons of the hippocampus in vitro. Neuropharmacology , 46 (2004) pp. 63-73.

Dougalis, A; Lees, G; Ganellin, CR; (2004) The sleep lipid oleamide may represent an endogenous anticonvulsant: an in vitro comparative study in the 4- aminopyridine rat brain-slice model. Neuropharmacology , 46 (4) pp. 541-554.

Drew, MGB; Tocher, DA; Chowdhury, K; Chowdhury, S; Datta, D; (2004) Zinc(II) mediated synthesis of an N-substituted 2-(2-pyridyl)imidazole from a 1,2-diketone and 2-(aminomethyl)pyridine and its ligational behaviour. New Journal of Chemistry , 28 (2) pp. 323-325. 10.1039/b308294f.

de Leeuw, N.H.; (2004) A computer modelling study of the uptake and segregation of fluoride ions at the hydrated hydroxyapatite (0001) surface: introducing a Ca10(PO4)6(OH)2 potential model. Physical Chemistry Chemical Physics , 6 (8) pp. 1860-1866. 10.1039/b313242k.

de Leeuw, NH; Nelson, CJ; Catlow, CRA; Sautet, P; Dong, W; (2004) Density Functional Theory calculations of the adsorption of chlorine at perfect and defective silver (111) surfaces. PHYS REV B , 69 (4) 045419-.

de Leeuw, NH; Nelson, CJ; Catlow, CRA; Sautet, P; Dong, W; (2004) Density-functional theory calculations of the adsorption of Cl at perfect and defective Ag(111) surfaces. PHYS REV B , 69 (4) , Article 045419. 10.1103/PhysRevB.69.045419.


Evans, W.J.; Kozimor, S.A.; Ziller, J.W.; Kaltsoyannis, N.; (2004) Structure, reactivity, and density functional theory analysis of the six-electron reductant, [(C5Me5)2U]2(-6:6-C6H6), synthesized via a new mode of (C5Me5)3M reactivity. Journal of the American Chemical Society , 126 (44) pp. 14533-14547. 10.1021/ja0463886.

Ewing, M.B.; Sanchez Ochoa, J.C.; (2004) Vapor pressures of acetonitrile determined by comparative ebulliometry. Journal of Chemical and Engineering Data , 49 (3) pp. 486-491. 10.1021/je034144f.


Ferey, G; Serre, C; Mellot-Draznieks, C; Millange, F; Surble, S; Dutour, J; Margiolaki, I; (2004) A hybrid solid with giant pores prepared by a combination of targeted chemistry, simulation, and powder diffraction. Angewandte Chemie International Edition , 43 (46) pp. 6296-6301. 10.1002/anie.200460592.

Frigerio, M.; (2004) Synthetic studies on novel bryostatin analogues and their interaction with Crd2 of protein kinase C. Doctoral thesis, University of London. Green open access


Galanakis, D; Ganellin, CR; (2004) Defining determinant molecular properties for the blockade of the apamin-sensitive SKCa channel in guinea-pig hepatocytes: the influence of polarizability and molecular geometry. BIOORG MED CHEM LETT , 14 pp. 4031-4035.

Gavezzotti, A; Price, SL; (2004) Organic Crystal Structure Analysis and Prediction. Encyclopaedia of Computational Chemistry (online)

Gervasio, FL; Parrinello, M; (2004) Mechanism of DNA oxidation. Abstracts of Papers of the American Chemical Society , 227 U1001 - U1001.

Glans, PA; Learmonth, T; McGuinness, C; Smith, KE; Guo, JH; Walsh, A; Watson, GW; (2004) On the involvement of the shallow core 5d level in the bonding in HgO. CHEM PHYS LETT , 399 (1-3) pp. 98-101. 10.1016/j.cplett.2004.09.145.

Goumans, TPM; Ehlers, AW; Lammertsma, K; (2004) Homodesmotic Reactions and Their Application to Ring-Strain Energy. Encyclopedia of Computational Chemistry , 2004 10.1002/0470845015.cn0067.

Goumans, TPM; Ehlers, AW; Lammertsma, K; Würthwein, EU; Grimme, S; (2004) Improved Reaction and Activation Energies of [4+2] Cycloadditions, [3+3] Sigmatropic Rearrangements and Electrocyclizations with the Spin-Component-Scaled MP2 Method. Chemistry - A European Journal , 10 (24) pp. 6468-6475. 10.1002/chem.200400250.

Grabmann, S; Apelt, J; Ligneau, X; Pertz, H; Arrang, J; Ganellin, CR; Schwartz, J; (2004) Search for Histamine H3 Receptor Ligands with Combined Inhibitory Potency at Histamine N-Methyltransferase: w-Piperidinoalkanamine. ARCH PHARM PHARM MED CHEM , 337 pp. 533-545.

Grau-Crespo, R; de Leeuw, NH; Catlow, CRA; (2004) The distribution of cations in FeSbO4: A DFT study. CHEM MATER , 16 pp. 1954-1960.

Grindon, C; Harris, S; Evans, T; Novik, K; Coveney, PV; Laughton, C; (2004) Large Scale Molecular Dynamics Simulation of DNA: Implementation and Validation of the Amber98 Forcefield in LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). TRANS R SOC LONDON SERIES A , 362 (1820) pp. 1373-1386.


Harper, S.M.; Hu, S.W-P.; Price, S.D.; (2004) Collision complexes in dissociative single electron transfer between Ne[sup 2+] and N[sub 2]. The Journal of Chemical Physics , 120 (16) p. 7245. 10.1063/1.1718219.

Harper, S.M.; Hu, S.W-P.; Price, S.D.; (2004) Experimental studies of the dynamics of the bond-forming reactions of CF2(2+) with H2O using position-sensitive coincidence spectroscopy. The Journal of Chemical Physics , 121 (8) p. 3507. 10.1063/1.1773156.

Harris, JJ; Zhang, T; Branford, WR; Clowes, SK; Debnath, M; Bennett, A; Roberts, C; (2004) The role of impurity band conduction in the low temperature characteristics of thin InSb films grown by molecular beam epitaxy. Semiconductor Science and Technology , 19 (12) pp. 1406-1410.

Holt, KB; Bard, AJ; Show, Y; Swain, GM; (2004) Scanning Electrochemical Microscopy and Conductive Probe Atomic Force Microscopy Studies of Hydrogen-Terminated Boron-Doped Diamond Electrodes with Different Doping Levels. The Journal of Physical Chemistry B , 108 (39) pp. 15117-15127. 10.1021/jp048222x.


Jahn, S; Madden, PA; Wilson, M; (2004) Dynamic Simulation of Pressure-Driven Phase Transformations in Crystalline Al2O3. Physical Review B , 69 02016 (R)-.

Jewell, C.M.; (2004) Structural & electronic properties of some early transition metal oxides. Doctoral thesis, University of London. Green open access


Kaltsoyannis, N; McGrady, JE; (2004) Principles and applications of density functional theory in inorganic chemistry I. [Book]. Springer Verlag

Kaltsoyannis, N; McGrady, JE; (2004) Principles and applications of density functional theory in inorganic chemistry II. [Book]. Springer Verlag

Kerridge, A.; Harker, A.H.; Stoneham, A.M.; (2004) Quantum behaviour of hydrogen and muonium in vacancy-containing complexes in diamond. Journal of Physics Condensed Matter , 16 (47) pp. 8743-8751. 10.1088/0953-8984/16/47/024. Green open access

King, PL; McMillan, PF; Moore, GM; (2004) Infrared spectroscopy of silicate glasses with application to natural systems. In: King, PL, (ed.) Molecules to Planets: Infrared Spectroscopy in Geochemistry, Exploration Geochemistry and Remote Sensing. Mineral Association of Canada

King, PL; Ramsey, MS; McMillan, PF; Swayze, G; (2004) Laboratory Fourier transform infrared spectroscopy methods for geologic samples. In: King, PL, (ed.) Molecules to Plants: Infrared Spectroscopy in Geochemistry, Exploration Geochemistry and Remote Sensing. Mineral Association of Canada

Koudriachova, M; Harrison, NM; de Leeuw, SW; (2004) Orthorhombic Distortion on Li intercalation in Anatase. Physical Review B , 69 054106-. 10.1103/PhysRevB.69.054106.

Koudriachova, MV; Harrison, NM; de Leeuw, SW; (2004) A First Principles Study of Hydrogen Intercalation in Rutile TiO2. Physical Review B , 70 165421-. 10.1103/PhysRevB.70.165421.


Lambert, N.; Kearney, D.; Kaltsoyannis, N.; Price, S.D.; (2004) The bond-forming reactions of atomic dications with neutral molecules: formation of ArNH+ and ArN+ from collisions of Ar2+ with NH3. Journal of the American Chemical Society , 126 (11) pp. 3658-3663. 10.1021/ja038779a.

Lindsay, R; Michelangeli, E; Daniels, BG; Polcik, M; Verdini, A; Floreano, L; Morgante, A; (2004) Impact of Bulk Reduction on TiO2(100)/K. SURF SCI , 566-56 pp. 921-925.

Lindsay, R; Muryn, CA; Michelangeli, E; Thornton, G; (2004) ZnO()-O surface structure: Hydrogen-free (1x1) termination. SURF SCI LETT , 565 L283-L287.

Lindsay, R; Muryn, CA; Michelangeli, E; Thornton, G; (2004) ZnO(000(1)over-bar)-O surface structure: hydrogen-free (1x1) termination. SURF SCI , 565 (2-3) L283 - L287. 10.1016/j.susc.2004.07.014.

Love, NA; Price, SD; (2004) Electron ionization of N2O. Physical Chemistry Chemical Physics , 6 pp. 4558-4565.

Love, NA; Price, SD; (2004) The formation of boron containing fragment ions from the ionization of BCl3. International Journal of Mass Spectrometry , 233 pp. 145-153.


Mandal, S; Green, MA; Natarajan, S; (2004) Synthesis of open-framework iron phosphates, [C5N2H14](2)[(Fe2F2)-F-III(HPO4)(4)]center dot 2H(2)O and [C5N2H14][Fe-4(III) (H2O)(4)F-2(PO4)(4)], with one- and three dimensional structures. Journal of Solid State Chemistry , 1117 (10)

Marson, CM; Savy, P; (2004) Alkylnitrogen compounds: amines and their salts. In: Katritzky, AR and Taylor, RJK, (eds.) Organic Functional Group Transformations. (pp. 255-300). Elsevier: New York.

Marzke, RM; Piwowarczyk, J; Boucher, S; Takulapalli, B; Wolf, GH; McMillan, PF; Petuskey, WT; (2004) Melt structure in the AlO3-CaO-LaPO4 system studied by ultra high-temperature. EUR J CERAM

Marzke, RM; Piwowarczyk, J; McMillan, PF; Wolf, GH; (2004) Rotational/convective incoherent motion rates in levitated, molten Al2O3 samples, measured by pulsed gradient spin echo. EUR J CERAM

Maunder, GH; Russo, MR; Sella, A; (2004) NO to NO2- conversion by divalent lanthanides: synthesis and crystal structure of [Sm(Tp(Me2,4-Et))(2)NO2]. POLYHEDRON , 23 (17) 2709 - 2714. 10.1016/j.poly.2004.05.018.

Maurin, G; Bell, RG; Devautour, S; Henn, F; Giuntini, JC; (2004) Computational studies of hydration in Na<sup>+</sup>-mordenite zeolites. Studies in Surface Science and Catalysis , 154 1606-. 10.1016/S0167-2991(04)80684-0.

McMillan, PF; (2004) Condensed matter chemistry under extreme high pressure - high temperature conditions. High Pressure Research

McMillan, PF; (2004) Flame-broiled alumina. Nature , 430 (7001) 738-. 10.1038/430738a.

McMillan, PF; (2004) Solid state chemistry and crystallography at high pressure. In: Katrusiak, A and McMillan, PF, (eds.) Crystallography at High Pressure. Erice Crystallography Course/Eruo Summer School

McMillan, PF; (2004) Germanium. In: Lagowski, J, (ed.) Chemistry: Foundations and Applications. MacMillan

McMillan, PF; (2004) Silicon. In: Lagowski, J, (ed.) Chemistry: Foundations and Applications. MacMillan

McMillan, PF; Katrusiak, A; (2004) Crystallography at High Pressure. [Pamphlet]. Kluwer Press: NATO Advanced Study Institute.

Meier, G; Krause, M; Huls, A; Ligneau, X; Pertz, H; Arrang, J; Ganellin, CR; (2004) 4-(ω-(Alkyloxy)alkyl)-1H-imidazole Derivatives as Histamine H3 Receptor Antagonists/Agonists. Journal of Medicinal Chemistry , 47 (10) pp. 2678-2687. 10.1021/jm031065q.

Mellot-Draznieks, C; Dutour, J; Ferey, GR; (2004) Hybrid organic-inorganic frameworks: Routes for computational design and structure prediction. Angewandte Chemie International Edition , 43 (46) pp. 6290-6296. 10.1002/anie.200454251.

Miko, T; Ligneau, X; Pertz, HH; Arrang, J-M; Ganellin, CR; Schwartz, J-C; Schunack, W; (2004) Structural variations of 1-(4-(phenoxymethyl)benzyl) piperidines as nonimidazole histamine H3 receptior antagonists. Bioorganic and Medicinal Chemistry , 12 pp. 2727-2736.

Motherwell, WB; Bingham, MJ; Pothier, J; Six, Y; (2004) A study of some molecularly imprinted polymers as protic catalysts for the isomerisation of alpha-pinene oxide to trans-carveol. TETRAHEDRON , 60 (14) 3231 - 3241. 10.1016/j.tet.2004.02.016.


Narduzzo, A; Ardavan, A; Singleton, J; Pardi, L; Berou, V; Akutsu-Sato, A; Akutsu, H; (2004) Electron Spin Resonance Studies of the Organic Superconductor beta"-(BEDT-TTF)4[(H3O)Fe(C2O4)3]C6H5CN. Journal de Physique IV , 114 pp. 347-349.

Nowell, H; Butchart, B; Coombes, DS; Price, SL; Emmerich, W; Catlow, CRA; (2004) Increasing the scope for polymorph prediction usinge-Science. In: Proceedings of the 2004 UK E-Science All Hands Meeting, Nottingham, UK. (pp. 968-971). UK Engineering and Physical Science Research Council Green open access

Nyden, MR; Stoliarov, SI; Westmoreland, PR; Guo, ZX; Jee, C; (2004) Applications of reactive molecular dynamics to the study of the thermal decomposition of polymers and nanoscale structures. Materials Science and Engineering A , 365 (1-2) pp. 114-121. 10.1016/j.msea.2003.09.060.


Pelloux-Leon, N; Fkyerat, A; Piripitsi, A; Tertiuk, W; Schunack, W; Stark, H; Garbarg, M; (2004) Meta-substituted aryl(thio)ethers as potent partial agonists (or antagonists) for the histamine H-3 receptor lacking a nitrogen atom in the side chain. Journal of Medicinal Chemistry , 47 (12) pp. 3264-3274.

Pogorzelec, P.J.; Reid, D.H.; Tocher, D.A.; Wilton-Ely, J.D.E.T.; (2004) Pyrrole thioaldehyde complexes of nickel, palladium and platinum. Zeitschrift für Naturforschung B: A Journal of Chemical Sciences , 59b pp. 1372-1378.

Porter, MJ; White, NJ; Howells, GE; Laffan, DDP; (2004) Unusual oxidation behaviour of a propargylic alcohol. TETRAHEDRON LETT , 45 (35) 6541 - 6543. 10.1016/j.tetlet.2004.07.062.

Price, SL; (2004) Crystal Structure Prediction. In: Encyclopaedia of Supramolecular Chemistry. (pp. 371-379). Marcel Dekker Inc

Price, SL; (2004) Quantifying intermolecular interactions and their use in computational crystal structure prediction. CRYSTENGCOMM , 6 344 - 353. 10.1039/b406598k.

Price, SL; Patel, B; Prinhanani-Jethani, P; Torrisi, A; (2004) Crystal Structure Prediction and Polymorphism - Some Mutual Insights. In: Beatty, AM, (ed.) Transactions of the American Crystallography Association 39. American Crystallographic Association, Inc.: Buffalo, NY.


Schedin, F; Leung, L; Muryn, CA; Hill, EW; Scholl, A; Thornton, G; (2004) Photoemission electron microscopy and atomic force microscopy of epitaxial iron oxide films on a-Al2O3(0001). J APPL PHYS , 96 pp. 1165-1169.

Sella, A; Brennan, JG; (2004) Scandium, Yttrium and the Lanthanides. In: Specialist Period Reports: Organometallic Chemistry. (pp. 85-111). Royal Society of Chemistry

Shi, Z; Guo, ZX; (2004) Finite Element Modelling of Composite Consolidation from Fibre and Wire Lay-ups. Materials Science and Engineering: A , 265 pp. 282-290. 10.1016/j.msea.2003.09.037.

Shi, Z; Guo, ZX; (2004) Numerical heat transfer modelling for wire casting. Materials Science and Engineering A , 365 (1-2) pp. 311-317. 10.1016/j.msea.2003.09.041.

Siggel-King, MRF; Lindsay, R; Quinn, FM; Pearson, J; Fraser, G; Thornton, G; (2004) A toroidal energy- and angle-resolved electron spectrometer (TEARES). J ELECTRON SPEC , 137-14 pp. 72-729.

Simperler, A; Bell, RG; Anderson, MW; (2004) Probing the Acid Strength of Brønsted Acidic Zeolites with Acetonitrile: Quantum Chemical Calculation of <sup>1</sup>H, <sup>15</sup>N, and <sup>13</sup>C NMR Shift Parameters. The Journal of Physical Chemistry B , 108 7142-. 10.1021/jp035674l.

Simperler, A; Bell, RG; Anderson, MW; (2004) Probing the acid strength of Bronsted acidic zeolites with acetonitrile: Quantum chemical calculation of H-1, N-15, and C-13 NMR shift parameters. J PHYS CHEM B , 108 (22) 7142 - 7151. 10.1021/jp0356741.

Soignard, E; McMillan, PF; (2004) Defect chemistry in gamma-Si3N4 and gamma-Ge3N4 spinel nitride phases probed by Raman scattering in the laser-heated diamond anvil cell. Chemistry of Materials , 16 pp. 5344-5349.

Soignard, E; McMillan, PF; (2004) UNSPECIFIED Presented at: An introduction to diamond anvil cells and loading techniques.

Sokol, AA; Catlow, CRA; Garces, JM; Kuperman, A; (2004) Transformation of hydroxyl nests in microporous aluminosilicates upon annealing. Journal of Physics: Condensed Matter , 16 (27) pp. 2781-2794.

Stackhouse, S; Coveney, PV; Benoit, DM; (2004) Density Functional Study of the Dehydroxylation Behaviour of Aluminous Dioctahedral 2:1 Layer Type Clay Minerals. The Journal of Physical Chemistry B , 108 (28) pp. 9685-9694.

Sugano, T; Blundell, SJ; Hayes, W; Day, P; (2004) Magnetism in Organic Radical Ion Salts Based on Imidazolyl and Benzimidazolyl Nitronyl Nitroxide. Journal de Physique IV , 114 pp. 651-653.


Telling, ND; Haznar, A; van der Laan, G; Roper, MD; Schedin, F; Thornton, G; (2004) Fe M2,3 X-ray resonant magnetic reflectivity on epitaxial Fe3-dO4 thin films. Physica B: Condensed Matter , 345 pp. 157-160.

Thirumurugan, A; Pati, SK; Green, MA; Natarajan, S; (2004) A gadolinium diphenate coordination polymer, (1)(infinity)[Gd2(H2O)(2)(C14H8O4)(3)], with one-dimensional structure. Zeitschrift für Anorganische und Allgemeine Chemie , 579 (6)

Turner, DR; Smith, B; Goeta, AE; Radosavljevic Evans, I; Tocher, DA; Howard, JAK; Steed, JW; (2004) The R<sup>2</sup><sub>1</sub>(6)hydrogen-bonded synthon in neutral urea and metal-bound halide systems. CrystEngComm , 6 (103) pp. 633-641.

Turner, SS; Carling, SG; Day, P; Gomez-Garcia, CJ; Coronado, E; (2004) Magnetic Studies on the pi-d Ferrimagnet TTF[Cr(NCS)4(1,10-phenanthroline)]. Journal de Physique IV , 114 pp. 585-587.


Van Der Weerd, J; Rehren, T; Firth, S; Clark, RJH; (2004) Identification of iron oxide impurities in earliest industrial-scale processed platinum. Materials Characterization , 53 (1) pp. 63-70. 10.1016/j.matchar.2004.08.001.

Viti, S; Brown, W; McCoustra, M; Fraser, H; Mason, NJ; Massey, R; (2004) Public understanding: The making of Stars `R' Us! Astronomy and Geophysics , 45 6.22-6.24.

van Mourik, T; (2004) Comment on "Theoretical study of indole: protonation, indoyl radical, tautomers of indole, and its interaction with water". Chemical Physics , 301 pp. 61-79.

van Mourik, T; (2004) First principles quantum chemistry in the life sciences. PHIL TRANS ROY SOC LOND A , 362 (Trienn) pp. 2653-2670.


Wan, S; Coveney, PV; Flower, D; (2004) Large scale molecular dynamics simulations of HLA-A*0201 complexed with a tumour-specific antigenic peptide: Can the a3 and á2m domains be neglected? Journal of Computational Chemistry , 25 (15) pp. 1803-1813.

Williams, KPJ; Burgio, L; Clark, RJH; (2004) The Use of Raman Spectroscopy in the Art World. In: Weiss, RJ and Chartier, D, (eds.) Fakebusters II: Scientific Detection of Fakery in Art and Philately. (pp. 138-149). World Scientific Publ. Co.: Singapore.

Wills, AS; (2004) Magnetism. In: Annu. Rep. Prog. Chem., Sect. A: Inorg. Chem. (pp. 509-523).

Wills, AS; Lappas, A; (2004) The use of symmetry in the search for canted ferromagnetism, its application to the molecular magnets Mn[N(CN)(2)](2) and Fe[N(CN)(2)](2). J PHYS CHEM SOLIDS , 65 (1) 65 - 71. 10.1016/j.jpcs.2003.08.011.

Wills, AS; Lelievre-Berna, E; (2004) Animal Magnetism – neutrons reveal the magnetic sides of proteins. ILL Brochure “Neutrons and Magnetism” 8-.

Wills, AS; Raymond, S; Henry, JY; (2004) Magnetic ordering in a distorted S=1/2 pyrochlore antiferromagnet. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS , 272-76 850 - 851. 10.1016/j.jmmm.2003.12.363.

Wills, AS; Smith, AML; Dubbin, WE; Hudson-Edwards, KA; Wright, K; (2004) Magnetic properties of the plumbo-jarosites: interlayer exchange in model kagome systems. Journal of Magnetism and Magnetic Materials , 272-27 1300-.

Wilson, DJ; Sokol, AA; French, SA; Catlow, CRA; (2004) Defect structures in silver chloride. Journal of Physics: Condensed Matter , 16 (27) pp. 2827-2838.

Wilson, M; (2004) The formation of low-dimensional chiral inorganic nanotubes by filling single-walled carbon nanotubes. Chemical Physics Letters , 397 (4-6) pp. 340-343. 10.1016/j.cplett.2004.08.036.

Wilson, M; McMillan, PF; (2004) Interpretation of X-ray and Neutron Diffraction Patterns for Liquid and Amorphous Yttrium and Lanthanum Aluminum Oxides from Computer Simulation. Physical Review B , 69 054206-1-054206-11.

Wilson, P; Calleja, M; Brodholt, J; Dove, M; Alfredsson, M; Du, Z; de Leeuw, NH; (2004) A Grid approach to environmental molecular simulations: deployment and use of condor pools within the eMinerals mini grid. in Case Studies on Grid Applications. Global Grid Forum , 10

Woodhead, AP; Guti rrez-Sosa, A; Martinez-Escolano, P; Thornton, G; (2004) Monitoring surface compound formation with chemical shift NEXAFS. PHYS REV B , 70 193404-.


Zhang, T; Branford, WR; Trodahl, HJ; Sharma, A; Rager, J; MacManus-Driscoll, JL; Cohen, LF; (2004) Raman spectroscopy of highly aligned thin films of Sr2FeMoO6. Journal of Raman Spectroscopy , 35 (12) pp. 1081-1085.

Zhang, T; Debnath, M; Clowes, SK; Branford, WR; Bennett, A; Roberts, C; Cohen, LF; (2004) InSb epilayers on GaAs(100) for spintronic and magneto-resistive sensor applications. Physica E: Low-dimensional Systems and Nanostructures , 20 (3-4) pp. 216-219.

This list was generated on Sun Mar 26 06:19:20 2017 BST.