Browse by Divisions pre August 2011

Linclau, Bruno (Patent Holder) (2006) Protease inhibitor precursor synthesis. WO/2006/089942.

Aragoni, M. Carla, Arca, Massimiliano, Carrea, M. Bonaria, Demartin, Francesco, Devillanova, Francesco A., Garau, Alessandra, Hursthouse, Michael B., Huth, Susanne L., Isaia, Francesco, Lippolis, Vito, Ogilvie, Helen R. and Verani, Gaetano (2006) Copper(I) complexes with a Cu4S6- and CuS4-type core obtained from the reaction of copper(0) with HN(SPPh2)(2)•I-2. European Journal of Inorganic Chemistry, (1), 200-206. (doi:10.1002/ejic.200500639).

Araya, K., Dunmur, D.A., Grossel, M.C., Luckhurst, G.R., Marchant-Lane, S.E. and Sugimura, A. (2006) Flexible dimers as dopants for liquid crystal display mixtures with faster relaxation times. Journal of Materials Chemistry, 16, (48), 4675-4689. (doi:10.1039/b610598j).

Armstrong, J.A. and Weller, M.T. (2006) New sodalite frameworks; synthetic tugtupite and a beryllosilicate framework with a 3 : 1 Si : Be ratio. Dalton Transactions, (24), 2998-3005. (doi:10.1039/b600579a).

Armstrong, Jennifer A. and Weller, Mark T. (2006) Structural observation of photochromism. Chemical Communications, (10), 1094-1096. (doi:10.1039/b517715d).

Arévalo, Maria J., Ávalos, Martin, Babiano, Reyes, Cintas, Pedro, Jimenez, José L., Light, Mark E. and Palacios, Juan C. (2006) Construction of C-nucleosides diversified by [3+2] cycloaddition from a sugar-based mesoionic ring. Tetrahedron, 62, (29), 6909-6917. (doi:10.1016/j.tet.2006.04.093).

Asaka, Daigo, Dunn, Christopher J., Luckhurst, Geoffrey R., Miyamoto, Tetsuo, Sugimura, Akihiko and Timimi, Bakir A. (2006) A study of the director distribution using deuterium NMR spectroscopy and simultaneous in situ observation of the light transmittance for a nematic subject to magnetic, electric and surface fields. Current Applied Physics, 6, (5), 891-896. (doi:10.1016/j.cap.2005.06.001).

Attard, G.S., Dymond, M.K., Tsaloglou, M.N. and Jackowski, S. (2006) Investigation of bilayer stored elastic stress in the regulation of CTP: phosphocholine citidylyltransferase activity. Chemistry and Physics of Lipids, 143, (1-2), p.84. (doi:10.1016/j.chemphyslip.2006.06.009).

Avalos, Martin, Babiano, Reyes, Cintas, Pedro, Hursthouse, Michael B., Jiménez, José, Lerma, Encarnación, Light, Mark E. and Palacios, Juan C. (2006) A one-pot domino reaction in constructing isoorotate bases and their nucleosides. Tetrahedron Letters, 47, (12), 1989-1992. (doi:10.1016/j.tetlet.2006.01.057).

Awwal, L., Bingham, A.L., Drake, J.E., Hursthouse, M.B., Light, M.E., Kumar, R. and Ratnani, R. (2006) Synthesis and characterization of Bis(mu-sulfido)bis[{O,O-dimethyldithiophosphato}oxomolybdenum(V)]. Crystal structure of Mo2O2(Phi-S-2)[S2P(OMe)(2)](2)•C6H6. Journal of Chemical Crystallography, 36, (2), 135-140. (doi:10.1007/s10870-005-9030-z).

Azzi, Nadia, Griffen, Ed, Light, Mark and Linclau, Bruno (2006) An enantioselective desymmetrisation approach to C9-substituted trans-hydrindene rings based on a diastereotopic group-selective intramolecular Dield-Alder reaction. Chemical Communications, 2006, (47), 4909-4911. (doi:10.1039/b607488j).

Baber, R. Angharad, Bedford, Robin B., Betham, Michael, Blake, Michael E., Coles, Simon J., Haddow, Mairi F., Hursthouse, Michael B., Orpen, A. Guy, Pilarski, Lukasz T., Pringle, Paul G. and Wingad, Richard L. (2006) Chiral palladium bis(phosphite) PCP-pincer complexes via ligand C-H activation. Chemical Communications, (37), 3880-3882. (doi:10.1039/b609704a).

Bali, Sumit, Singh, Ajai K., Drake, J.E., Hursthouse, M.B. and Light, M.E. (2006) Tellurated heterocycles, 2-[(2-thienyltelluro)methyl]tetrahydrofuran (L-1) and [(2-thienyltelluro)methyl]tetrahydro-2H-pyran (L-2): synthesis and complexation reactions with Pd(II), Pt(II), Hg(II), Ru(II) and Cu(I) single crystal structures of [Ru(p-cymene)Cl-2(L-1)] and cis-[PdCl2(L-2)(2)]. Journal of Organometallic Chemistry, 691, (18), 3788-3796. (doi:10.1016/j.jorganchem.2006.05.033).

Bali, Sumit, Singh, Ajai K., Drake, John. E. and Light, Mark. E. (2006) Multidentate hybrid organotellurium ligands 1-(4-methoxyphenyltelluro)-2-[3-(6-methyl-2-pyridyl)propoxy]ethane (L-1) 2-methyl-6-{3-[2-({2-[3-(6-methyl-2-pyridyl)propoxy]-ethyl}telluranyl)et hoxy]propyl}pyridine (L-2) and their metal complexes: formation of 20-membered metallomacrocycle by L-1. Polyhedron, 25, (4), 1033-1042. (doi:10.1016/j.poly.2005.12.010).

Bates, Gareth W., Gale, Philip A. and Light, Mark E. (2006) Ionic liquid-calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup. Crystengcomm, 8, (4), 300-302. (doi:10.1039/b600251j).

Bates, Gareth W., Kostermans, Maarten, Dehaen, Wim, Gale, Philip A. and Light, Mark E. (2006) Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4] pyrrole. Crystengcomm, 8, (6), 445-448. (doi:10.1039/b604128k).

Beard, C.D., Barrie, R.J., Evans, J., Levason, W., Reid, G. and Spicer, M.D. (2006) Synthesis and properties of complexes of vanadium(V) oxide trichloride with nitrogen- and oxygen-donor ligands. European Journal of Inorganic Chemistry, (21), 4391-4398. (doi:10.1002/ejic.200600513).

Beard, C.D., Carr, L., Davis, M.F., Evans, J., Levason, W., Norman, L.D., Reid, G. and Webster, M. (2006) Studies on chromium(III) and vanadium(III) complexes with crown ether and crown thioether coordination - Synthesis, properties and structural systematics. European Journal of Inorganic Chemistry, (21), 4399-4406. (doi:10.1002/ejic.200600573).

Beckett, Michael A., Coles, Simon J., Light, Mark E., Fischer, Lars, Stiefvater-Thomas, Ben M. and Varma, K. Sukuma (2006) Synthesis and X-ray characterization of the organotriboroxinate salts [Me3NCH2CH2OH][Ph4B3O3] and [NEt3H][Ph3B3O3(OH)], and the X-ray structure of the triarylboroxine, (4-MeOC6H4)(3)B3O3. Polyhedron, 25, (4), 1011-1016. (doi:10.1016/j.poly.2005.11.032).

Bedford, R.B., Betham, M., Blake, M.E., Coles, S.J., Draper, S.M., Hursthouse, M.B. and Scully, P.N. (2006) Ruthenium PCP-bis(phosphinite) pincer complexes. Inorganica Chimica Acta, 359, (6), 1870-1878. (doi:10.1016/j.ica.2005.07.050).

Bedford, Robin B., Betham, Michael, Bruce, Duncan W., Danopoulos, Andreas A., Frost, Robert M. and Hird, Michael (2006) Iron-phosphine, -phosphite, -arsine and –carbene catalysts for the coupling of primary and secondary alkyl halides with aryl Grignard reagents. Journal of Organic Chemistry, 71, (3), 1104-1110. (doi:10.1021/jo052250+).

Bedford, Robin B., Betham, Michael, Coles, Simon J., Horton, Peter N. and López-Sáez, María-José (2006) The influence of steric bulk on the geometry of triarylphosphite-based palladacycles and their tricyclohexylphosphine adducts. Polyhedron, 25, (4), 1003-1010. (doi:10.1016/j.poly.2005.11.014).

Bertolli, Paola, Farley, Robert D., Fletcher, Matthew D., Horton, Peter N., Hursthouse, Michael B., Paradela, Cristina and von Vacano, Bernhard (2006) The [1,2]-thio-Wittig rearrangement: evidence for a radical mechanism and its suppression. Tetrahedron Letters, 47, (45), 7939-7942. (doi:10.1016/j.tetlet.2006.08.140).

Besli, Serap, Coles, Simon J., Davies, David B., Eaton, Robert J., Kilic, Adem and Shaw, Robert A. (2006) Competitive formation of spiro and ansa derivatives in the reactions of tetrafluorobutane-1,4-diol with hexachlorocyclotriphosphazene: a comparison with butane-1,4-diol. Polyhedron, 25, (4), 963-974. (doi:10.1016/j.poly.2005.10.027).

Bicarregui, Juan, Boulderstone, Richard, Estelle, Lorraine, Frey, Jeremy, Jacobs, Neil, Kilbride, William, Matthews, Brian and McGreevy, Robert Office of Science and Technology, e-Infrastructure Steering Group (2006) 20/20 Vision: an e-Infrastructure for the next decade. Report of the Data and Information Creation Working Group to the e-Infrastructure Steering Group. London, UK, Office of Science and Technology, 25pp.

Bingham, A.L., Drake, J.E., Gurnani, C., Hursthouse, M.B., Light, M.E., Nirwan, M. and Ratnani, R. (2006) Triethyl ammonium salt of O,O'-bis(p-tolyl)dithiophosphate, [Et3NH](+)[(4-MeC6H4O)(2)PS2](-). Journal of Chemical Crystallography, 36, (10), 627-630. (doi:10.1007/s10870-006-9107-3).

Bingham, A.L., Drake, J.E., Saraswat, K., Nirwan, M., Hursthouse, M.B., Light, M.E. and Ratnani, R. (2006) Crystal Structure of bis(O,O '-neopentylene dithiophosphato)nickel(II) Ni[S2POCH2CMe2CH2O](2) and bis(O,O '-hexylene dithiophosphato)nickel(II) Ni[S2POCMe2CH2CHMeO](2). Journal of Chemical Crystallography, 36, (4), 249-254. (doi:10.1007/s10870-005-9007-y).

Bingham, Ann L., Drake, John E., Hursthouse, Michael B., Light, Mark E., Kumar, Ravindra and Ratnani, Raju (2006) Synthesis, spectroscopic characterization and structural studies of bromodioxodimethylsulfoxide (N,N '-dialkyldithiocarbamates and O-alkyl dithiocarbonate)molybdenum(VI) complexes: Crystal structures of MoO2Br2(OSMe2)(2) and MoO2Br2(Cl2H8N2) • CH2Cl2. Polyhedron, 25, (17), 3238-3244. (doi:10.1016/j.poly.2006.05.034).

Bingham, Anne L., Drake, John E., Light, Mark E., Nirwan, Manisha and Ratnani, Raju (2006) Synthesis, spectroscopic characterization and structural studies of nickel complexes of O,O '-diaryl(dibenzyl) dithiophosphates: crystal structures of Ni[S2P(OC(6)H(4)CH(3-)o)(2)](2), Ni[S2P(OC(6)H(4)CH(3-)m)(2)](2) and Ni[S2P(OCH2Ph)(2)](2). Polyhedron, 25, (4), 945-952. (doi:10.1016/j.poly.2005.10.022).

Birkin, Peter R., Hirsimäki, Hanne-Maria, Frey, Jeremy G. and Leighton, Timothy G. (2006) Mass transfer enhancement produced by laser induced cavitation. Electrochemistry Communications, 8, (10), 1603-1609. (doi:10.1016/j.elecom.2006.07.026).

Bishop, M.M., Coles, S.J., Lindoy, L.F. and Parkin, A. (2006) A systematic study of ligand intermolecular interactions in crystals of copper(II) complexes of bidentate guanidino derivatives. Inorganica Chimica Acta, 359, (11), 3565-3580. (doi:10.1016/j.ica.2005.12.079).

Black, Claudie, Poile, Chris, Langley, John and Herniman, Julie (2006) The use of pencil lead as a matrix and calibrant for matrix-assisted laser desorption/ionisation. Rapid Communications in Mass Spectrometry, 20, (7), 1053-1060. (doi:10.1002/rcm.2408).

Borda, Ann, Careless, Jason, Dimitrova, Maia, Fraser, Michael, Frey, Jeremy, Hubbard, Paul, Goldstein, Stéphane, Pung, Caroline, Shoebridge, Michele and Wiseman, Norman Office of Science and Technology, e-Infrastructure Steering Group (2006) Report of the Working Group on Virtual Research Communities for the OST e-Infrastructure Steering Group. London, UK, Office of Science and Technology, 46pp.

Bouamaied, Imenne, Coskun, Timur and Stulz, Eugen (2006) Axial Coordination to Metalloporphyrins Leading to Multinuclear Assemblies. In, Alessio, Enzo (ed.) Non-Covalent Multi-Porphyrin Assemblies. Berlin, Germany, Springer Verlag, 1-47. (Structure and Bonding, 121). (doi:10.1007/11677529).

Bouamaied, Imenne, Fendt, Leslie-Anne, Wiesner, Markus, Häussinger, Daniel, Amiot, Nicolas, Thöni, Sandra and Stulz, Eugen (2006) Tetranucleotides as a scaffold for diporphyrin arrays. Pure and Applied Chemistry, 78, (11), 2003-2014. (doi:10.1351/pac200678112003).

Brace, K.M., Hayden, B.E., Russell, A.E. and Owen, J.R. (2006) A parallel optical screen for the rapid combinatorial electrochromic analysis of electrochemical materials. Advanced Materials, 18, (24), 3253-3257. (doi:10.1002/adma.200600786).

Bresner, Christopher, Day, Joanna K., Coombs, Natalie D., Fallis, Ian A., Aldridge, Simon, Coles, Simon J. and Hursthouse, Michael B. (2006) Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity. Dalton Transactions, (30), 3660-3667. (doi:10.1039/b605031j).

Brooks, Simon J., Edwards, Peter R., Gale, Philip A. and Light, Mark E. (2006) Carboxylate complexation by a family of easy-to-make ortho-phenylenediamine based bis-ureas: studies in solution and the solid state. New Journal of Chemistry, 30, (1), 65-70. (doi:10.1039/b511963d).

Brooks, Simon J., Gale, Philip A. and Light, Mark E. (2006) Anion-binding modes in a macrocyclic amidourea. Chemical Communications, (41), 4344-4346. (doi:10.1039/b610938a).

Brooks, Simon J., Gale, Philip A. and Light, Mark E. (2006) Network formation by a pyrrole functionalized isophthalamide. Crystengcomm, 8, (12), 877-882. (doi:10.1039/b612524g).

Brown, Michael D., Dyke, John M., Ferrante, Francesco, Levason, William, Ogden, J. Steven and Webster, Michael (2006) Unexpected structural diversity in alkali metal azide-crown ether complexes: syntheses, X-ray structures, and quantum-chemical calculations. Chemistry - a European Journal, 12, (9), 2620-2629. (doi:10.1002/chem.200501072).

Brown, Michael D., Levason, William, Reid, Gillian and Webster, Michael (2006) Preparation and coordinating properties of {CH2(o-C6H4CH2SbMe2)}(2), a novel wide-angle cis-chelating distibine. Dalton Transactions, (47), 5648-5654. (doi:10.1039/b610808c).

Brown, Michael D., Levason, William, Reid, Gillian and Webster, Michael (2006) Preparation, properties and structures of the first series of organometallic Pt(ii) and Pt(iv) complexes with stibine co-ligands. Dalton Transactions, 13, 1667-1674. (doi:10.1039/b514019f).

Brown, Michael D., Levason, William, Reid, Gillian and Webster, Michael (2006) Preparation, properties and structures of the first series of organometanic Pt(II) and Pt(IV) complexes with stibine co-ligands. Dalton Transactions, (13), 1667-1674. (doi:10.1039/b514019f).

Brown, Michael D., Levason, William, Reid, Gillian and Webster, Michael (2006) Synthesis and properties of Rh(I) and Ir(I) distibine complexes with organometallic co-ligands. Dalton Transactions, (33), 4039-4046. (doi:10.1039/b605198g).

Brown, R.C.D. and Satcharoen, V. (2006) Ring-closing metathesis of heteroatom-substituted dienes. Heterocycles, 70, 705-736.

Brown, Richard C.D. and Satcharoen, Vachiraporn (2006) Ring-closing metathesis of heteroatom-substituted dienes. Heterocycles, 70, 705-736.

Bryant, P., Kriek, M., Wood, R.J. and Roach, P.L. (2006) The activity of a thermostable lipoyl synthase from Sulfolobus solfataricus with a synthetic octanoyl substrate. Analytical Biochemistry, 351, (1), 44-49. (doi:10.1016/j.ab.2006.01.023).

Callear, S.K. and Hursthouse, M.B. (2006) Unexpected Polymorphism in Nitroanilines. At BCA Spring Meeting 2006, Lancaster, UK, 04 - 06 Apr 2006. Southampton, UK, 1pp.

Campbell, T., Newton, M.A., Boyd, V., Lee, D.F. and Evans, J. (2006) Effects of precursor and support variation in the performance of uranium oxide catalysts for CO oxidation and selective reduction of NO. Journal of Molecular Catalysis A: Chemical, 245, (1-2), 62-68. (doi:10.1016/j.molcata.2005.09.030).

Carravetta, Marina, Johannessen, Ole G., Levitt, Malcolm H., Heinmaa, Ivo, Stern, Raivo, Samoson, Ago, Horsewill, Anthony, Murata, Y. and Komatsu, Koichi (2006) Cryogenic NMR spectroscopy of endohedral hydrogen-fullerene complexes. Journal of Chemical Physics, 124, (10), 104507-104520. (doi:10.1063/1.2174012).

Chatterjee, Sudipta, Kamar, Kunal K., Hursthouse, Michael B., Light, Mark E. and Goswami, Sreebrata (2006) Hetero-hexanuclear ruthenium-nickel complexes containing 2,2 '-biimidazolate dianion. Synthesis, ESI-MS and X-ray structure characterization. Indian Journal of Chemistry Section A - Inorganic, Bio-Inorganic, Physical, Theoretical & Analytical Chemistry, 45, (4), 845-852.

Cintra, Suzanne, Abdelsalam, Mamdouh E., Bartlett, Phillip N., Baumberg, Jeremy J., Kelf, Timothy A., Sugawara, Yoshihiro and Russell, Andrea E. (2006) Sculpted substrates for SERS. Faraday Discussions, 132, 191-199. (doi:10.1039/b508847j).

Circu, V., Gibbs, T.J.K., Omnes, L., Horton, P.N., Hursthouse, M.B. and Bruce, D.W. (2006) Orthometallated palladium(II) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes. Journal of Materials Chemistry, 16, (44), 4316-4325. (doi:10.1039/b608823f).

Clayden, J., Westlund, N., Frampton, C.S. and Helliwell, M. (2006) Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2 '-dicarboxamides. Organic & Biomolecular Chemistry, 4, (3), 455-461. (doi:10.1039/b514561a).

Coe, B.J., Harris, J.A., Hall, J.J., Brunschwig, B.S., Hung, S.T., Libaers, W., Clays, K., Coles, S.J., Horton, P.N., Light, M.E., Hursthouse, M.B., Garin, J. and Orduna, J. (2006) Syntheses and quadratic nonlinear optical properties of salts containing benzothiazolium electron-acceptor groups. Chemistry of Materials, 18, (25), 5907-5918. (doi:10.1021/cm061594t).

Coe, Benjamin J., Harries, Josephine L., Harris, James A., Brunschwig, Bruce S., Horton, Peter N. and Hursthouse, Michael B. (2006) Extended dipolar nonlinear optical chromophores based on trans-bis[1,2-phenylenebis(dimethylarsine)]chlororuthenium(II) centers. Inorganic Chemistry, 45, (26), 11019-11029. (doi:10.1021/ic061659u).

Coe, Benjamin J., Harries, Josephine L., Helliwell, Madeleine, Brunschwig, Bruce S., Harris, James A., Asselberghs, Inge, Hung, Sheng-Ting, Clays, Koen, Horton, Peter N. and Hursthouse, Michael B. (2006) Syntheses and quadratic optical nonlinearities of ruthenium(II) complexes with ethynyl-connected N-methylpyridinium electron acceptors. Inorganic Chemistry, 45, (3), 1215-1227. (doi:10.1021/ic051816+).

Cole, R.M., Sugawara, Y., Baumberg, J.J., Mahajan, S., Abdelsalam, M. and Bartlett, P.N. (2006) Easily coupled whispering gallery plasmons in dielectric nanospheres embedded in gold films. Physical Review Letters, 97, (13), 137401-[4pp]. (doi:10.1103/PhysRevLett.97.137401).

Coles, S. J., Davies, D. B., Eaton, R. J., Kilic, A., Shaw, R. A. and Ciftci, G. Y. (2006) Structural and stereogenic properties of spiro- and ansa-substituted 1,3-propanedioxy derivatives of a spermine-bridged cyclotriphosphazene. Polyhedron, 25, (4), 953-962. (doi:10.1016/j.poly.2005.10.023).

Coles, Simon, Frey, Jeremy and Milsted, Andrew (2006) Curation of chemistry from laboratory to publication: “The curation of laboratory experimental data as part of the overall data lifecycle”. In, UK e-Science All Hands Meeting 2006, Nottingham, UK, 18 - 21 Sep 2006. Edinburgh, UK, National e-Science Centre8pp, 185-192.

Coles, Simon J. (2006) Data management in the chemistry domain. In, Getting the Most Out of Data, Making the Most Out of Research, London, UK, 05 Dec 2006. Southampton, UK, University of Southampton.

Coles, Simon J. (2006) Developing institutional data repositories. In, JISC Data Cluster Consultation Workshop, Rutherford Appleton Laboratory, UK, 10 Oct 2006. Southampton, UK, University of Southampton.

Coles, Simon J. (2006) Digital repositories as a mechanism for the capture, management and dissemination of chemical data. In, Workshop on e-Research, Digital Repositories and Portals, Lancaster, UK, 06 - 07 Sep 2006. Southampton, UK, University of Southampton25pp.

Coles, Simon J. (2006) Digital repositories as a mechanism for the capture, management and dissemination of chemical data. In, 15th International World Wide Web Conference (WWW 2006), Edinburgh, UK, 22 May 2006. Southampton, UK, University of Southampton24pp.

Coles, Simon J., Davies, David B., Eaton, Robert J., Hursthouse, Michael B., Kiliç, Adem, Shaw, Robert A. and Uslu, Aylin (2006) The structural and stereogenic properties of pentaerythritoxy-bridged cyclotriphosphazene derivatives: spiro-spiro, spiro-ansa and ansa-ansa isomers. Dalton Transactions, (10), 1302-1312. (doi:10.1039/b512854d).

Coles, Simon J., Frey, Jeremy G., Hursthouse, Michael B., De Roure, David, Mills, Hugo R. and Meacham, Ken E. (2006) Experiences in deploying a useable Grid-enabled service for the National Crystallography Service. In, Designing for Usability in e-Science, Edinburgh, UK, 26 - 27 Jan 2006. Southampton, UK, 5pp.

Coles, Simon J., Frey, Jeremy G., Hursthouse, Michael B., Milsted, Andrew J., Carr, Leslie A., Gutteridge, Christopher J., Lyon, Liz, Heery, Rachel, Duke, Monica, Koch, Traugott and Day, Michael (2006) Enabling the reusability of scientific data: Experiences with designing an open access infrastructure for sharing datasets. In, Designing for Usability in e-Science, Edinburgh, UK, 26 - 27 Jan 2006. Southampton, UK, 5pp.

Coles, Simon J., Frey, Jeremy G., Hursthouse, Michel B., Light, Mark E., Milsted, Andrew J., Carr, Leslie A., De Roure, David, Gutteridge, Christopher J., Mills, Hogo R., Meacham, Ken E., Surridge, Michael, Lyon, Elizabeth, Heery, Rachel, Duke, Monica and Day, Michael (2006) An e-science environment for service crystallographysfrom submission to dissemination. Journal of Chemical Information and Modeling, 46, (3), 1006-1016. (doi:10.1021/ci050362w).

Coles, Simon J., Hursthouse, Michael B., Bartlett, S, Davies, D., Ibisoglu, H., Shaw, R., Kilic, A. and Un, I. (2006) Structural investigations of phosphorus-nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N3P3Cl(6 - n)(NHBut)n derivatives. Acta Crystallographica Section B Structural Science, 62, (2), 321-329. (doi:10.1107/S0108768106000851).

Coles, Simon J., Hursthouse, Michael B., Frey, Jeremy G., Milsted, Andrew J., Carr, Leslie A., Koch, Traugott, Lyon, Elizabeth and Duke, Monica (2006) eCrystals: A Route for Open Access to Small Molecule Crystal Structure Data. In, ECM 23, Leuven, Belgium, 06 - 10 Aug 2006. (Submitted).

Corrie, T.I., Attard, G.S., Date, R.W., Luckhurst, G.R., Roskilly, S.J., Seddon, J.M. and Taylor, L. (2006) Non-symmetric dimeric liquid crystals - the preparation and properties of the alpha-(4-cyanobiphenyl-4 '-yloxy)-omega-(4-n-alkylanilinebenzylidene-4 '-oxy) alkanes. Liquid Crystals, 33, (11-12), 1455-1485. (doi:10.1080/02678290601140498).

D'Alessandro, D. M., Topley, A. C., Davies, M. S. and Keene, F. R. (2006) Probing the transition between the localised (Class II) and Localised-to-delocalised (Class II-III) regimes by using intervalence charge-transfer solvatochromism in a series of mixed-valence dinuclear ruthenium complexes. Chemistry - a European Journal, 12, (18), 4873-4884. (doi:10.1002/chem.200501483).

Danailov, Danial M., Brothers, Renee, Johnsen, Rainier, Wright, Timothy G. and Lee, Edmond P.F. (2006) Mobility of O+ in He and interaction potential of HeO+. Journal of Chemical Physics, 125, (8), 1-6. (doi:10.1063/1.2337634).

Dandia, A., Sarawgi, P., Hursthouse, M.B., Bingham, A.L., Light, M.E., Drake, J.E. and Ratnani, R. (2006) Synthesis of a series of 2,3-disubstituted 4H-1,4-benzothiazines and X-ray crystal structure of ethyl 7-chloro-3-methyl-4H-1,4-benzothiazine-2-carboxylate. Journal of Chemical Research, (7), 445-448.

Davis, M. F., Levason, W., Ratnani, R., Reid, G. and Webster, M. (2006) Synthesis, spectroscopic studies and structural systematics of phosphine oxide complexes with Group II metal (beryllium-barium) nitrates. New Journal of Chemistry, 30, (5), 782-790. (doi:10.1039/b600301j).

Davis, M.F., Clarke, M., Levason, W., Reid, G. and Webster, M. (2006) Tin(IV) fluoride complexes with tertiary phosphane ligands - A comparison of hard and soft donor ligands. European Journal of Inorganic Chemistry, (14), 2773-2782. (doi:10.1002/ejic.200600202).

Davis, Martin F., Levason, William, Ratnani, Raju, Reid, Gillian, Rose, Tim and Webster, Michael (2006) Synthesis and characterisation of WVI complexes of phosphane oxide ligands, [WO2X2(OPR3)2] (X = F, Cl or Br; R = Me or Ph), and of the [MoO2F2(OPR3)2]. European Journal of Inorganic Chemistry, 2007, (2), 306-313. (doi:10.1002/ejic.200600823).

Davis, Martin F., Levason, William, Reid, Gillian and Webster, Michael (2006) Synthesis and characterisation of tin(IV) fluoride complexes of phosphine and arsine oxide ligands. Polyhedron, 25, (4), 930-936. (doi:10.1016/j.poly.2005.10.024).

De Roure, David (2006) Keynote talk: e-Research the JISC way. At All Hands Meeting 2006 (AHM2006), Nottingham, UK, 18 - 21 Sep 2006. (Submitted).

Deer, Mathew John (2006) Photorefractives for fast optics. University of Southampton, Department of Physics, Doctoral Thesis , 144pp.

Denuault, G., Sosna, M. and Williams, K. (2006) Classical experiments. In, Zoski, Cynthia (ed.) Handbook of Electrochemistry. London, GB, Elsevier, 431-469.

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Gabbutt, Christopher D., Hargrove, Tessa F.L., Heron, B. Mark, Jones, David, Poyner, Carley, Yildiz, Emel, Horton, Peter N. and Hursthouse, Michael B. (2006) Oxidation and ring cleavage reactions of 3-benzhydrylchromones. Generation of triarylmethine cations from methylidenechroman-4-ones and benzopyrano[4,3-c]pyrazoles. Tetrahedron, 62, (47), 10945-10953. (doi:10.1016/j.tet.2006.08.090).

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Ganesan, A. (2006) Solid-phase synthesis in the twenty-first century. Mini-Reviews in Medicinal Chemistry, 6, (1), 3-10.

Gelbrich, Thomas and Hursthouse, Michael B. (2006) Systematic investigation of the relationships between 25 crystal structures containing the carbamazepine molecule or a close analogue: a case study of the XPac method. Crystengcomm, 8, (6), 449-461. (doi:10.1039/b600753h).

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Grossel, Martin C., Dwyer, Andrew N., Hursthouse, Michael B. and Orton, James B. (2006) Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons. CrystEngComm, 8, (2), 123-128. (doi:10.1039/B516387K).

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Guerin, Samuel, Hayden, Brian E., Pletcher, Derek, Rendall, Michael E, Suchsland, Jens-Peter and Williams, Laura J. (2006) Combinatorial approach to the study of particle size effects in electrocatalysis: synthesis of supported gold nanoparticles. Journal of Combinatorial Chemistry, 8, (5), 791-798. (doi:10.1021/cc060040k).

Guerin, Samuel, Hayden, Brian E., Pletcher, Derek, Rendall, Michael E. and Suchsland, Jens-Peter (2006) A combinatorial approach to the study of particle size effects on supported electrocatalysts: oxygen reduction on gold. Journal of Combinatorial Chemistry, 8, (5), 679-686. (doi:10.1021/cc060041c).

Hampshire, Andrew J., Khairallah, Hannah, Khalaf, Abedawn I., Ebrahimabadi, Abdolrasoul H., Waigh, Roger D., Suckling, Colin J., Brown, Tom and Fox, Keith R. (2006) DNA sequence recognition by an imidazole-containing isopropyl-substituted thiazole polyamide (thiazotropsin B). Bioorganic & Medicinal Chemistry Letters, 16, (13), 3469-3474. (doi:10.1016/j.bmcl.2006.04.007).

Hannant, Mark H., Wright, Joseph A., Lancaster, Simon J., Hughes, David L., Horton, Peter N. and Bochmann, Manfred (2006) The synthesis of new weakly coordinating diborate anions: anion stability as a function of linker structure and steric bulk. Dalton Transactions, (20), 2415-2426. (doi:10.1039/b515548g).

Harrowven, D.C., Guy, I.L., Howell, M. and Packham, G. (2006) The synthesis of a combretastatin A-4 based library and discovery of new cooperative ortho-effects in Wittig reactions leading to (Z)-stilbenes. Synlett, (18), 2977-2980. (doi:10.1055/s-2006-948200).

Harrowven, David C., Guy, Ian L. and Nanson, Lana (2006) Efficient phenanthrene, helicene, and azahelicene syntheses. Angewandte Chemie International Edition, 45, (14), 2242-2245. (doi:10.1002/anie.200504287). (PMID:16506249).

Haynes, P.D., Mostofi, A.A., Skylaris, C-K. and Payne, M.C. (2006) ONETEP: linear-scaling density-functional theory with plane-waves. Journal of Physics: Conference Series, 26, 143-148. (doi:10.1088/1742-6596/26/1/034).

Haynes, P.D., Skylaris, C.K., Mostofi, A.A. and Payne, M.C. (2006) Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ. Chemical Physics Letters, 422, (4-6), 345-349. (doi:10.1016/j.cplett.2006.02.086).

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Heady, Lucy, Fernandez-Serra, Marivi, Mancera, Ricardo L., Joyce, Sian, Venkitaraman, Ashok R., Artacho, Emilio, Skylaris, Chris-Kriton, Colombi Ciacchi, Lucio and Payne, Mike C. (2006) Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations. Journal of Medicinal Chemistry, 49, (17), 5141-5153. (doi:10.1021/jm060190+).

Henderson, Stuart J. and Hector, Andrew L. (2006) Structural and compositional variations in Ta3N5 produced by high-temperature ammonolysis of tantalum oxide. Journal of Solid State Chemistry, 179, (11), 3518-3524. (doi:10.1016/j.jssc.2006.07.021).

Hernán, Alejandro G., Horton, Peter N., Hursthouse, Michael B. and Kilburn, Jeremy D. (2006) New and efficient synthesis of solid-supported organotin reagents and their use in organic synthesis (in special issue on recent advances in organotin chemistry). Journal of Organometallic Chemistry, 691, (8), 1466-1475. (doi:10.1016/j.jorganchem.2005.11.031).

Hu, Yulai, Cecil, Alex R.L., Frank, Xavier, Gleye, Christophe, Figadère, Bruno and Brown, Richard C.D. (2006) Natural cis-solamin is a mixture of two tetra-epimeric diastereoisomers: biosynthetic implications for annonaceous acetogenins. Organic & Biomolecular Chemistry, 4, 1217-1219. (doi:10.1039/b601943a).

Huck, Deborah M., Nguyen, H. Loc, Horton, Peter N., Hursthouse, Michael B., Guillon, Daniel, Donnio, Bertrand and Bruce, Duncan W. (2006) Mesomorphic silver(I) complexes of polycatenar 2 '- and 3 '-stilbazoles. Crystal and molecular structure of 3,4-dimethoxy-3 '-stilbazole and of two silver triflate complexes. Polyhedron, 25, (2), 307-324. (doi:10.1016/j.poly.2005.07.023).

Hungria, A.B., Raja, R., Adams, R.D., Captain, B., Thomas, J.M., Midgley, P.A., Golovko, V. and Johnson, B.F.G. (2006) Single-step conversion of dimethyl terephthalate into cyclohexanedimethanol with Ru5PtSn, a trimetallic nanoparticle catalyst. Angewandte Chemie-International Edition, 45, (29), 4782-4785. (doi:10.1002/anie.200600359).

Hunter, Rupert A., Macfarlane, Donald P.S. and Whitby, Richard J. (2006) Organozirconium-mediated solution- and solid-phase synthesis of 3-benzyl pyrrolidines and other potentially neuroactive amines. Synlett, (19), 3314-3318. (doi:10.1055/s-2006-951553).

Imokawa, Toru, Williams, Kirsty-Jo and Denuault, Guy (2006) Fabrication and characterization of nanostructured Pd hydride pH microelectrodes. Analytical Chemistry, 78, (1), 265-271. (doi:10.1021/ac051328j).

Jackson, Andrew W., Shebanova, Olga, Hector, Andrew L. and McMillan, Paul F. (2006) Amorphous and nanocrystalline titanium nitride and carbonitride materials obtained by solution phase ammonolysis of Ti(NMe2)4. Journal of Solid State Chemistry, 179, 1383-1393. (doi:10.1016/j.jssc.2006.01.067).

Jain, A. K., Sharma, V., Bohra, R., Sukumar, A. A., Raju, V. S., Drake, J. E., Hursthouse, M. B. and Light, M. E. (2006) Synthesis and characterization of methylbismuth(III) complexes containing dithio ligands: 2. Crystal and molecular structure of [MeBiCl(S2CNEt2)] and transformation of some [MeBi(S2CNR '(2))(2)] to Bi2S3. Journal of Organometallic Chemistry, 691, (19), 4128-4134. (doi:10.1016/j.jorganchem.2006.06.023).

Jebas, S. R., Balasubramanian, T. and Light, M. E. (2006) Nicotinium nitrate monohydrate. Acta Crystallographica Section E-Structure Reports Online, 62, (8), O3481-O3482. (doi:10.1107/S1600536806027474).

Ju-Nam, Y., Bricklebank, N., Allen, D.W., Gardiner, P.H.E., Light, M.E. and Hursthouse, M.B. (2006) Phosphonioalkylthiosulfate zwitterions - new masked thiol ligands for the formation of cationic functionalised gold nanoparticles. Organic & Biomolecular Chemistry, 4, (23), 4345-4351. (doi:10.1039/b610480k).

Kan, J.Q., Zhou, S., Zhang, Y. and Patel, M. (2006) Synthesis and characterization of polyaniline nanoparticles in the presence of magnetic field and samarium chloride. European Polymer Journal, 42, (9), 2004-2012. (doi:10.1016/j.eurpolymj.2006.03.003).

Karami, S., Li, Y., Hughes, D.S., Hursthouse, M.B., Russell, A.E., Threlfall, T.L., Claybourn, M. and Roberts, R. (2006) Further errors in polymorph identification: furosemide and finasteride. Acta Crystallographica Section B: Structural Science, 62, (4), 689-691. (doi:10.1107/S0108768106016211).

Keene, T.D., Hursthouse, M.B. and Price, D.J. (2006) Poly[methylamine-mu-oxalato-copper(II)]. Acta Crystallographica Section E: Structure Reports Online, 62, (6), M1373-M1375. (doi:10.1107/S1600536806016679).

Kelf, T.A., Sugawara, Y., Cole, R.M., Baumberg, J.J., Abdelsalam, M.E., Cintra, S., Mahajan, S., Russell, A.E. and Bartlett, P.N. (2006) Localised and delocalised plasmons in metallic nano-voids. Physical Review B, 74, (24), 245415-[12pp]. (doi:10.1103/PhysRevB.74.245415).

Khalid, S. and Sansom, M.S.P. (2006) Molecular dynamics simulations of a bacterial autotransporter: NalP from Neisseria meningitidis. Molecular Membrane Biology, 23, (6), 499-508. (doi:10.1080/09687860600849531).

Khalid, Syma, Bond, Peter J., Deol, Sundeep S. and Sansom, Mark S.P. (2006) Modeling and simulations of a bacterial outer membrane protein: OprF from Pseudomonas aeruginosa. Proteins: Structure Function and Bioinformatics, 63, (1), 6-15. (doi:10.1002/prot.20845).

Khalid, Syma, Hannon, Michael J., Rodger, Alison and Rodger, P. Mark (2006) Simulations of DNA coiling around a synthetic supramolecular cylinder that binds the DNA major groove. Chemistry: a European Journal, 12, (13), 3493-3506. (doi:10.1002/chem.200501168).

Khalid, Syma and Samsom, Mark S.P. (2006) Molecular dynamics simulations of a bacterial autotransporter: Na1P from Neisseria meningitidis. Molecular Membrane Biology, 23, (6), 499-508. (doi:10.1080/09687860600849531).

Kiziroglou, M.E., Zhukov, A., LI, X, Gonzalez, D.C., de Groot, P.A.J., Bartlett, Philip N. and de Groot, C.H. (2006) Analysis of thermionic emission from electrodeposited Ni–Si Schottky barriers. Solid State Communications, 140, (11-12), 508-513. (doi:10.1016/j.ssc.2006.09.027).

Kiziroglou, Michail, Li, Xiaoli, Gonzalez, David C., de Groot, Cornelius, Zhukov, Alexander, de Groot, Peter D. and Bartlett, Phillip N. (2006) Orientation and symmetry control of inverse sphere magnetic nanoarrays by guided self-assembly. Journal of Applied Physics, 100, (11), 113720-[5pp]. (doi:10.1063/1.2386936).

Kristiansen, Per Eugen, Carravetta, Marina, van Beek, Jacco D., Lai, Wai Cheu and Levitt, Malcolm H. (2006) Theory and applications of supercycled symmetry-based recoupling sequences in solid-state NMR. Journal of Chemical Physics, 124, (234510), 1-19. (doi:10.1063/1.2205857).

Kuronen, M., Weller, M., Townsend, R. and Harjula, R. (2006) Ion exchange selectivity and structural changes in highly aluminous zeolites. Reactive and Functional Polymers, 66, (11), 1350-1361. (doi:10.1016/j.reactfunctpolym.2006.03.019).

Lafitte, Valérie G.H., Aliev, Abil E., Horton, Peter N., Hursthouse, Michael B., Bala, Kason, Golding, Peter and Hailes, Helen C. (2006) Quadruply hydrogen bonded cytosine modules for supramolecular applications. Journal of the American Chemical Society, 128, (20), 6544-6545. (doi:10.1021/ja0587289).

Lafitte, Valérie G.H., Aliev, Abil E., Horton, Peter N., Hursthouse, Michael B. and Hailes, Helen C. (2006) Highly stable cyclic dimers based on non-covalent interactions. Chemical Communications, (20), 2173-2175. (doi:10.1039/b600459h).

Lai, Wai Cheu, McLean, Neville, Gansmüller, Axel, Verhoeven, Michiel A., Antonioli, Gian Carlo, Carravetta, Marina, Duma, Luminita, Bovee-Geurts, Petra H.M., Johannessen, Ole G., de Groot, Hub J.M., Lugtenburg, Johan, Emsley, Lyndon, Brown, Steven P., Brown, Richard C.D., DeGrip, Willem J. and Levitt, Malcolm H. (2006) Accurate measurements of 13C-13C J-couplings in the rhodopsin chromophore by double-quantum solid-state NMR spectroscopy. Journal of American Chemical Society, 128, (2), 3878-3879. (doi:10.1021/ja0581604).

Lee, E.P.F., Dyke, J.M., Chow, W.K., Chau, F.T. and Mok, D.K.W. (2006) DFT and ab initio calculations on the reaction between fluorine atoms and the fire suppressant, 2-H heptafluoropropane. Chemical Physics Letters, 417, (1-3), 256-260. (doi:10.1016/j.cplett.2005.10.013).

Lee, Edmond P.F., Mok, Daniel K.W., Chau, Foo-tim and Dyke, John M. (2006) Ab initio calculations on SCl2 and its low-lying cationic states: Franck-Condon simulation of the u.v.photoelectron spectrum of SCl2. Journal of Chemical Physics , 125, (10), 104304-[13pp]. (doi:10.1063/1.2227380). (PMID:1699952).

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Lee, Edmond P.F., Dyke, John M., Chau, Foo-tim, Chow, Wan-ki and Mok, Daniel K.W. (2006) An ab initio study on some low-lying singlet and triplet states of SbO2+ and quartet states of SbO2. Chemical Physics Letters, 429, (4-6), 365-370. (doi:10.1016/j.cplett.2006.08.063).

Lee, Edmond P.F., Mok, Daniel K.W., Chau, Foo-tim and Dyke, John M. (2006) Ab initio calculations on SF2 and its low-lying cationic states: Anharmonic Franck-Condon simulation of the uv photoelectron spectrum of SF2. Journal of Chemical Physics, 125, (10), 1-13. (doi:10.1063/1.2227380).

Levason, W., Manning, J.M., Pawelzyk, P. and Reid, G. (2006) Synthesis and properties of organometallic Pt-II and Pt-IV complexes with acyclic selenoether and telluroether ligands and selenoether macrocycles. European Journal of Inorganic Chemistry, (21), 4380-4390. (doi:10.1002/ejic.200600509).

Levason, W., Ratnani, R., Reid, G. and Webster, M. (2006) Secondary coordination of dichlorodioxomolybdenum(VI) to crown ethers. Inorganica Chimica Acta, 359, (14), 4627-4630. (doi:10.1016/j.ica.2006.05.017).

Levason, W. and Reid, G. (2006) Developments in the coordination chemistry of stibine ligands. Coordination Chemistry Reviews, 250, (19-20), 2565-2594. (doi:10.1016/j.ccr.2006.03.024).

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Li, Hong, Broughton-Head, Victoria J., Peng, Guomei, Powers, Vicki E.C., Ovens, Matthew J., Fox, Keith R.. and Brown, Tom (2006) Triplex staples: DNA double-strand cross-linking at internal and terminal sites using psoralen-containing triplex-forming oligonucleotides. Bioconjugate Chemistry, 17, (6), 1561-1567. (doi:10.1021/bc0601875).

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Light, M.E., Gale, P.A. and Brooks, S.J. (2006) Bis(tetrabutylammonium) isophthalate 1-phenyl-3- [2,4,5-tris(3-phenylureido)phenyl] urea: a synchrotron study. Acta Crystallographica Section E-Structure Reports Online, 62, (5), o1905-o1907. (doi:10.1107/S1600536806009135).

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Lory, P.M.J., Jones, R.C.F., Iley, J.N., Coles, S.J. and Hursthouse, M.B. (2006) Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de] quinoxalines and imidazo[1,2-a]indoles. Organic & Biomolecular Chemistry, 4, (16), 3155-3165. (doi:10.1039/b605458g).

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Messias, A.C., Aguiar, A.P., Brennan, L., Salgueiro, C.A., Saraiva, L.M., Xavier, A.V. and Turner, D.L. (2006) Solution structures of tetrahaem ferricytochrome c(3) from Desulfovibrio vulgaris (Hildenborough) and its K45Q mutant: The molecular basis of cooperativity. Biochimica et Biophysica Acta (BBA) - Bioenergetics, 1757, (2), 143-153. (doi:10.1016/j.bbabio.2006.01.007).

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Mountford, Andrew J., Lancaster, Simon J., Coles, Simon J., Horton, Peter N., Hughes, David L., Hursthouse, Michael B. and Light, Mark E. (2006) The synthesis, molecular structures, and supramolecular architecture of amine adducts of bis(pentafluorophenyl)zinc. Organometallics, 25, (16), 3837-3847. (doi:10.1021/om060319d).

Mowlem, M., Benazzi, G., Holmes, D., Morgan, H., Haas, C., Kraft, M., Taberham, A., Chavagnac, V., Statham, P.J. and Burkill, P. (2006) Micro system technology for marine measurement. In, Proceedings of IEEE/MTS Oceans'06 Conference, Boston MA, September 18-21, 2006. Oceans'06 Conference Piscataway NJ, USA, IEEE.

Mulcair, M.D., Schaeffer, P.M., Oakley, A.J., Cross, H.F., Neylon, D.C., Hill, T.M. and Dixon, N.E. (2006) A Molecular Mousetrap Determines Polarity of Termination of DNA Replication in E. coli. Cell, 125, (7), 1309-1319. (doi:10.1016/j.cell.2006.04.040).

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Murphy, Brian, Aljabri, Moza, Ahmed, Aaleya Mohamed, Murphy, Gillian, Hathaway, Brian J., Light, Mark E., Geilbrich, Thomas and Hursthouse, Michael B. (2006) Structural systematics of the [Cu(chelate)(3)][Y](2) series. An interesting crystallographic structural insight involving vibronic coupling and the Jahn-Teller effect (JTE). The syntheses and low temperature crystal structures of tris(2,2 ' bipyridyl)copper(II) tetraphenylborate and tris(2,2 ' bipyridyl)zinc(II) tetraphenylborate. Dalton Transactions, (2), 357-367. (doi:10.1039/b509070a).

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Ohfuji, Hiroaki, Rickard, David, Light, Mark E. and Hursthouse, Michael B. (2006) Structure of framboidal pyrite: a single crystal X-ray diffraction study. European Journal of Mineralogy, 18, (1), 93-98. (doi:10.1127/0935-1221/2006/0018-0093).

Oliana, M., King, F., Horton, P.N., Hursthouse, M.B. and Hii, K.K. (2006) Practical synthesis of chiral vinylphosphine oxides by direct nucleophilic substitution. Stereodivergent synthesis of aminophosphine ligands. Journal of Organic Chemistry, 71, (6), 2472-2479. (doi:10.1021/jo052575q).

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Pennington, D.A., Coles, S.J., Hursthouse, M.B., Bochmann, M. and Lancaster, S.J. (2006) Salicylaldiminato pyrrolylaldiminato group 4 metal alkene polymerization catalysts: Combining high activity with high comonomer incorporation. Macromolecular Rapid Communications, 27, (8), 599-604. (doi:10.1002/marc.200600006).

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Planas, José Giner, Vinas, Clara, Teixidor, Francesc, Light, Mark E. and Hursthouse, Michael B. (2006) A boron-boron linked large metallacarborane cluster: Characterization and X-ray structure of 8.9 '-[closo-{3-Co(eta(5)-C5H5)-1,2-C2B9H10}]2. Journal of Organometallic Chemistry, 691, (16), 3472-3476. (doi:10.1016/j.jorganchem.2006.04.031).

Plater, M. John, De Silva, Ben, Sinclair, James P., Gelbrich, Thomas and Hursthouse, Michael B. (2006) The first double helical coordination network with shared copper atoms. Journal of Molecular Structure, 784, (1-3), 269-271. (doi:10.1016/j.molstruc.2005.06.039).

Plater, M. John, Gelbrich, Thomas, Hursthouse, Michael B. and De Silva, Ben M. (2006) Synthesis of co-ordination networks selecting from either (R, R), (S, S) and (R, S)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl] benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-cis-ethenyl)]benzene. Crystengcomm, 8, (12), 895-903. (doi:10.1039/b609740e).

Plater, M. John, Sinclair, James P., Kemp, Steven, Gelbrich, Thomas, Hursthouse, Michael B. and Gómez-García, Carlos J. (2006) New tetrahydro-1,2,4,5-tetrazinan-3-ones and oxoverdazyl free radicals. Journal of Chemical Research, (8), 515-520.

Ponce de Leon, C., Walsh, F.C., Pletcher, D., Browning, D.J. and Lakeman, J.B. (2006) Direct borohydride fuel cells. Journal of Power Sources, 155, (2), 172-181. (doi:10.1016/j.jpowsour.2006.01.011).

Porter, Robin M. and Danopoulos, Andreas A. (2006) Dimethylxanthene- and dibenzofuran-diamido complexes of titanium. Polyhedron, 25, (4), 859-863. (doi:10.1016/j.poly.2005.09.011).

Porter, Robin M., Danopoulos, Andreas A. and Reid, Gillian (2006) Titanium(IV) and zirconium(IV) amido complexes derived from the azaoxa macrocycle 3,3-dimethyl-1,5-diaza-8-oxacyclodecane. Inorganic Chemistry, 45, (16), 6516-6522. (doi:10.1021/ic060302n).

Potrzebowski, M.J., Gajda, J., Ciesielski, W. and Montesinos, I.M. (2006) Distance measurements in disodium ATP hydrates by means of P-31 double quantum two-dimensional solid-state NMR spectroscopy. Journal of Magnetic Resonance, 179, (2), 173-181. (doi:10.1016/j.jmr.2005.11.016).

Pugh, D. (2006) 2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine. Acta Crystallographica Section C: Crystal Structure Communications, 62, (10), O590-O592. (doi:10.1107/S0108270106032732).

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Qing, Enming, Viehland, Larry A., Lee, Edmond P.F. and Wright, Timothy G. (2006) Interaction potentials and spectroscopy of Hg+•Rg and Cd+•Rg and transport coefficients for Hg+ and Cd+ in Rg (Rg=He-Rn). Journal of Chemical Physics, 124, (4), 1-11. (doi:10.1063/1.2148955).

Quin, D., Russell, A.E., Pere-Laperne, N., Patel, S., Lee, T., Flaherty, J., Burrows, I., Purton, J. and Surman, M. (2006) Bridging the pressure gap: the development of a far-IR RAIRS high pressure cell. Surface Science, 600, (18), 4260-4263. (doi:10.1016/j.susc.2006.01.154).

Ragusa, A., Hayes, J.M., Light, M.E. and Kilburn, J.D. (2006) Predicting enantioselectivity: Computation as an efficient "experimental" tool for probing enantioselectivity. European Journal of Organic Chemistry, (16), 3545-3549. (doi:10.1002/ejoc.200600368).

Raja, R. and Thomas, J.M. (2006) Nanoporous solids as receptacles and catalysts for unusual conversions of organic compounds. Solid State Sciences, 8, (3-4), 326-331. (doi:10.1016/j.solidstatesciences.2006.02.010).

Raja, R., Thomas, J.M. and Dreyer, V. (2006) Benign oxidants and single-site solid catalysts for the solvent-free selective oxidation of toluene. Catalysis Letters, 110, (3-4), 179-183. (doi:10.1007/s10562-006-0106-y).

Raja, Robert, Thomas, John Meurig, Xu, Mingcan, Harris, Kenneth D. M., Greenhill-Hooper, Michael and Quill, Kieran (2006) Highly efficient one-step conversion of cyclohexane to adipic acid using single-site heterogeneous catalysts. Chemical Communications, 4, 448-450. (doi:10.1039/b513583d).

Rashdan, Suad, Light, Mark E. and Kilburn, Jeremy D. (2006) Pyridyl thioureas as switchable anion receptors. Chemical Communications, (44), 4578-4580. (doi:10.1039/b611138f).

Reiman, Kenneth H., Brace, Karen M., Gordon-Smith, Toby J., Nandhakumar, Iris, Attard, George S. and Owen, John R. (2006) Lithium insertion into TiO2 from aqueous solution - facilitated by nanostructure. Electrochemistry Communications, 8, (4), 517-522. (doi:10.1016/j.elecom.2006.01.017).

Robinson, Jamie M., Frey, Jeremy G., De Roure, D. C., Stanford-Clark, Andrew J., Reynolds, Andrew D., Bedi, Bharat V. and Conway-Jones, D. (2006) The Combechem MQTT LEGO microscope: a grid enabled scientific apparatus demonstrator. In, Proceedings of the Fifth All Hands Meeting. UK e-Science All Hands Meeting 2006 (AHM2006) UK, National eScience Center, 393-396.

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Ronson, Tanya K., Lazarides, Theodore, Adams, Harry, Pope, Simon J.A., Sykes, Daniel, Faulkner, Stephen, Coles, Simon J., Hursthouse, Michael B., Clegg, William, Harrington, Ross W. and Ward, Michael D. (2006) Luminescent Pt-II(bipyridyl)(diacetylide) chromophores with pendant binding sites as energy donors for sensitised near-infrared emission from lanthanides: structures and photophysics of Pt-II/Ln(III) assemblies. Chemistry - a European Journal, 12, (36), 9299-9313. (doi:10.1002/chem.200600698).

Rusling, David A., Brown, Tom and Fox, Keith R. (2006) DNA triple-helix formation at target sites containing duplex mismatches. Biophysical Chemistry, 123, (2-3), 134-140. (doi:10.1016/j.bpc.2006.04.016).

Safonova, Olga V., Tromp, Moniek, van Bokhoven, Jeroen A., de Groot, Frank M.F., Evans, John and Glatzel, Pieter (2006) Identification of CO adsorption sites in supported Pt catalysts using high-energy-resolution fluorescence detection X-ray spectroscopy. Journal of Physical Chemistry B, 110, (33), 16162-16164. (doi:10.1021/jp063416t).

Sansom, M., Bond, P.J., Khalid, S. and Balali-Mood, K. (2006) Molecular simulations of membrane proteins: Protein/membrane interactions. In, Abstracts of Papers. , American Chemical Society.

Saraswat, K., Prasad, R.N., Ratnani, R., Drake, J.E., Hursthouse, M.B. and Light, M.E. (2006) Synthesis, spectroscopic characterization and structural studies of mixed ligand complexes of Sr(II) and Ba(II) with 2-hydroxybenzophenone and salicylaldehyde, hydroxyaromatic ketones or beta-diketones crystal structure of 2-HOC6H4C(O)C6H5. Inorganica Chimica Acta, 359, (4), 1291-1295. (doi:10.1016/j.ica.2005.06.079).

Sarazin, Y., Coles, S.J., Hughes, D.L., Hursthouse, M.B. and Bochmann, M. (2006) Cationic bronsted acids for the preparation of Sn-IV salts: Synthesis and characterisation of [Ph3Sn(OEt2)][H2N{B(C6F5)(3)}(2)], [Sn(NMe2)(3)(HNMe2)(2)][B(C6F5)(4)] and [Me3Sn(HNMe2)(2)][B(C6F5)(4)]. European Journal of Inorganic Chemistry, (16), 3211-3220. (doi:10.1002/ejic.200600397).

Sessler, Jonathan L., Gale, Philip A. and Cho, Won-Seob (2006) Anion Receptor Chemistry, London, UK, Royal Society of Chemistry, 400pp. (Monographs in Supramolecular Chemistry).

Sessler, Jonathan L., Gross, Dustin E., Cho, Won-Seob, Lynch, Vincent M., Schmidtchen, Franz P., Bates, Gareth W., Light, Mark E. and Gale, Philip A. (2006) Calix[4]pyrrole as a chloride anion receptor: Solvent and countercation effects. Journal of the American Chemical Society, 128, (37), 12281-12288. (doi:10.1021/ja064012h).

Sessler, Jonathan L., Pantos, G. Dan, Gale, Philip A. and Light, Mark E. (2006) Synthesis and anion binding properties of N,N'-bispyrrol-2-yl-2,5-diamidopyrrole. Organic Letters, 8, (8), 1593-1596. (doi:10.1021/ol060193g S1523-7060(06)00193-3).

Shallcross, Dudley E., Vaughan, Stewart, Trease, David R., Canosa-Mas, Carlos E., Ghosh, Mariana V., Dyke, John M. and Wayne, Richard P. (2006) Kinetics of the reaction between OH radicals and monochlorodimethylsulphide (CH3SCH2Cl). Atmospheric Environment, 40, (36), 6899-6904. (doi:10.1016/j.atmosenv.2006.06.037).

Sharma, Vinita, Agrawal, Sangeeta, Bohra, Rakesh, Ratnani, Raju, Drake, John E., Bingham, Ann L., Hursthouse, Michael B. and Light, Mark E. (2006) Synthesis and characterization of some monoorganotin(IV) chloride adducts with internally functionalized oximes: crystal and molecular structures of nBuSnCl3 · HONC(Me)Py-2 · C6H5Me and a trinuclear hydroxo bridged stannoxane {nBuSnCl2(ONC(Me)Py-2)OH}2SnnBuCl · 0.5HONC(Me)Py-2. Inorganica Chimica Acta, 359, (5), 1404-1412. (doi:10.1016/j.ica.2005.09.017).

Shepherd, Jon, Gale, Tom, Jensen, Kim B. and Kilburn, Jeremy D. (2006) Synthesis of unsymmetrical tweezer receptor libraries and identification of receptors for Lys-D-Ala-D-Ala in aqueous solution. Chemistry - a European Journal, 12, (3), 713-720. (doi:10.1002/chem.200500876).

Shiroka, T., Fumera, G., Ligabue, O., Riccò, M. and Antonioli, G.C. (2006) Nuclear magnetic resonance structural investigations of ammonia-doped fullerides. Journal of Chemical Physics, 124, (20), 1-10. (doi:10.1063/1.2198822).

Singh, Garima, Singh, Ajai K., Drake, John E., Hursthouse, Michael B. and Light, Mark E. (2006) 1-ethylthio-2-[2-thienyltelluro]ethane (L) a new (Te, S) ligand: synthesis and complexation with Ag(I), Cu(I), Pd(II) and Pt(II) - single crystal structures of [PdCl2(L)] and bis(thienyl) tellurium(IV) chloride. Polyhedron, 25, (18), 3481-3487. (doi:10.1016/j.poly.2006.06.042).

Singh, Garima, Singh, Ajai K., Drake, John E., Hursthouse, Michael B. and Light, Mark E. (2006) Synthesis and single crystal structure of a three coordinate complex of mercury(II) with 1-(ethylthio)-2-(diphenylphosphino) ethane (L) prepared by a new simple method. Polyhedron, 25, (15), 2915-2919. (doi:10.1016/j.poly.2006.04.025).

Skabara, Peter J., Berridge, Rory, Bricklebank, Neil, Lath, Helena, Coles, Simon J. and Horton, Peter N. (2006) Self-assembly of halogen adducts of ester and carboxylic acid functionalised 1,3-dithiole-2-thiones. Polyhedron, 25, (4), 989-995. (doi:10.1016/j.poly.2005.11.013).

Skylaris, C.K., Haynes, P.D., Mostofi, A.A. and Payne, M.C. (2006) Implementation of linear-scaling plane wave density functional theory on parallel computers. Physica Status Solidi B-Basic Solid State Physics, 243, (5), 973-988. (doi:10.1002/pssb.200541328).

Smith, Martin B., Dale, Sophie H., Coles, Simon J., Gelbrich, Thomas, Hursthouse, Michael B. and Light, Mark E. (2006) Isomeric dinuclear gold(I) complexes with highly functionalised ditertiary phosphines: self-assembly of dimers, rings and 1-D polymeric chains. CrystEngComm, 8, (2), 140-149. (doi:10.1039/b516023e).

Sono, T.J., Scott, J.G., Sones, C.L., Valdivia, C.E., Mailis, S., Eason, R.W., Frey, J.G. and Danos, L. (2006) Reflection second harmonic generation on a z-cut congruent lithium niobate crystal. Physical Review B, 74, (20), 205424-[7pp]. (doi:10.1103/PhysRevB.74.205424).

Sturdy, Y.K., Skylaris, C.K. and Clary, D.C. (2006) Torsional anharmonicity in the conformational analysis of beta-D-galactose. Journal of Physical Chemistry B, 110, (8), 3485-3492. (doi:10.1021/jp053225a).

Sugawara, Y., Kelf, T.A., Baumberg, J.J., Abdelsalam, M.E. and Bartlett, P.N. (2006) Strong coupling between localized plasmons and organic excitons in metal nanovoids. Physical Review Letters, 97, (26), 266808-[4pp]. (doi:10.1103/PhysRevLett.97.266808).

Sweeney, J.B., Tavassoli, Ali and Workman, James A. (2006) Asymmetric ammonium ylid rearrangements: the effect of nitrogen asymmetry. Tetrahedron, 62, (49), 11506-11512. (doi:10.1016/j.tet.2006.06.043).

Szamocki, Rafael, Reculusa, Stephane, Ravaine, Serge, Bartlett, Phil N., Kuhn, Alexander and Hempelmann, Rolf (2006) Tailored mesostructuring and biofunctionalization of gold for increased electroactivity. Angewandte Chemie-International Edition, 45, (8), 1317-1321. (doi:10.1002/anie.200503292).

Szymanska, Iwona, Radecka, Hanna, Radecki, Jerzy, Gale, Philip A. and Warriner, Colin N. (2006) Ferrocene-substituted calix[4]pyrrole modified carbon paste electrodes for anion detection in water. Journal of Electroanalytical Chemistry, 591, (2), 223-228. (doi:10.1016/j.jelechem.2006.04.007).

Tavassoli, Ali, Duffy, James E.S. and Young, Douglas W. (2006) Synthesis of trimethyl (2S,3R)- and (2R,3R)-[2-2H1]-homocitrates and dimethyl (2S,3R)- and (2R,3R)-[2-2H1]-homocitrate lactones: an assay for the stereochemical outcome of the reaction catalysed both by homocitrate synthase and by the Nif-V protein. Organic & Biomolecular Chemistry, 4, (3), 569-580. (doi:10.1039/b515937g).

Taylor, Kieron, Essex, J.W., Frey, Jeremy G., Mills, H.R., Hughes, G. and Zaluska, E.J. (2006) The semantic grid and chemistry: experiences with CombeChem. Web Semantics, 4, (2), 84-101. (doi:10.1016/j.websem.2006.03.003).

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