Select Publications
Journal articles
2007, 'Elucidating the Coordination Chemistry and Mechanism of Biological Nitrogen Fixation', ChemInform, 38, http://dx.doi.org/10.1002/chin.200743222
,2007, 'Elucidating the coordination chemistry and mechanism of biological nitrogen fixation', Chemistry - An Asian Journal, 2, pp. 936 - 946
,2007, 'Iron-carbon clusters: Geometric structures and interconversions', Polyhedron, 26, pp. 250 - 265
,2007, 'The mechanistically significant coordination chemistry of dinitrogen at FeMo-co, the catalytic site of nitrogenase', Journal of the American Chemical Society, 129, pp. 1076 - 1088, http://dx.doi.org/10.1021/ja0644428
,2006, 'An NMR study of Solvent Interactions in a Paramagnetic System', Bulletin of the Korean Chemical Society, 27, pp. 1752 - 1756
,2006, 'cis-[PtBr2{PPh2(4-catechol))}(2)]: synthesis, crystal structure, and computational modelling of its binding to nanocrystalline TiO2', Journal of the Royal Chemical Society, Dalton Transactions, pp. 680 - 685
,2006, 'Crystals of isomeric tritolylamines: embrace motifs in crystals, and their thermochemical properties', CrystEngComm, 8, pp. 59 - 65
,2006, 'Mechanistic significance of the preparatory migration of hydrogen atoms around the FeMo-co active site of nitrogenase', Biochemistry, 45, pp. 6328 - 6340, http://dx.doi.org/10.1021/bi052217h
,2006, 'The correlation of redox potential, HOMO energy, and oxidation state in metal sulfide clusters and its application to determine the redox level of the FeMo-co active-site cluster of nitrogenase', Inorganic Chemistry, 45, pp. 5084 - 5091
,2005, 'A synthetic, structural, and Cd-113 NMR study of cadmium complexes of 1,3-thiazolidine-2-thionate, including the structures of Cd(C3H4NS2)(2), (Cd(C3H4NS2)(2)(C5H5N)(3)center dot C5H5N, and (Ph4P)(2)[I2Cd(mu-C3H4NS2)(2)CdI2]', Canadian Journal of Chemistry - Revue Canadienne de Chimie, 83, pp. 174 - 184
,2005, 'Engineering grids of metal complexes: development of the 2D M( terpy)(2) embrace motif in crystals', CrystEngComm, 7, pp. 216 - 229
,2005, 'Engineering the metal-terpy grid with complexes containing 4 `-hydroxy terpyridine', CrystEngComm, 7, pp. 230 - 236
,2005, 'Intermolecular embraces and intermolecular energies', Molecular Crystals and Liquid Crystals, 440, pp. 265 - 293
,2005, 'The crystallisation of polyoxo-molybdate and -tungstate anions with phenylated phosphonium and arsonium cations, in relation to the crystal packing and species in solution', CrystEngComm, 7, pp. 491 - 503
,2005, 'The hydrogen chemistry of the FeMo-co active site of nitrogenase', Journal of the American Chemical Society, 127, pp. 10925 - 10942
,2004, 'A variable Ag-Cr-oxalate channel lattice:[MxAg0.5-x(H2O)(3)](@)[Ag2.5Cr(C2O4)(3)], M = K, Cs, Ag', Inorganic Chemistry, 43, pp. 443 - 449
,2004, 'Crystal packing in tetraphenylphosphonium salts of trithiocyanuric acidand its methanol solvate', CrystEngComm, 6(88), pp. 543 - 548
,2004, 'Localization of a catalytic intermediate bound to the FeMo-cofactor ofnitrogenase', The Journal of Biological Chemistry, 279, pp. 34770 - 34775
,2004, 'Questions for crystal engineering of halocuprate complexes: conceptsfor a difficult system', CrystEngComm, 6(46), pp. 257 - 275
,2004, 'Substrate interactions with nitrogenase: Fe versus Mo', Biochemistry, 43, pp. 1401 - 1409
,2004, 'The mechanism of nitrogenase. Computed details of the site and geometryof binding of alkyne and alkene substrates and intermediates', Journal of the American Chemical Society, 126, pp. 11852 - 11863
,2003, 'Crystal packing principles for ferrocenyl groups linked by polyyne chains: dimorphism of Fc-C4-Fc', CrystEngComm, 5, pp. 305 - 309
,2003, 'Distance criteria for crystal packing analysis of supramolecular motifs.', New Journal of Chemistry, 27, pp. 22 - 27
,2003, 'Inorganic intermolecular motifs, and their energies.', CrystEngComm, 5, pp. 208 - 221
,2003, 'Nanoclusters of phenylphosphonium cations and cyanoferrate anions in the gas phase, and the principles of association of these ions in crystals.', Journal of the Royal Chemical Society, Dalton Transactions, -, pp. 1520 - 1528
,2003, 'Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2-', CrystEngComm, %, pp. 285 - 293
,2003, 'Tetraphenylarsonium iodide, a new determination', ACTA Crystallographica Section C - Crystal Structure Communications, C59, pp. 484 - 486
,2003, 'The consequences of an interstitial N atom in the FeMo cofactor of nitrogenase.', Chemical Communications, -, pp. 324 - 325
,2003, 'The Subtle Tetramorphism of MePh3P+ I3-', New Journal of Chemistry, 27, pp. 704 - 713
,2003, 'What is supramolecular?', New Journal of Chemistry, 27, pp. 1 - 2
,2002, 'A Cucurbituril-Based Gyroscane: A New Supramolecular Form', Angewandte Chemie, 114, pp. 285 - 287, http://dx.doi.org/10.1002/1521-3757(20020118)114:2<285::aid-ange285>3.0.co;2-6
,2002, 'A cucurbituril-based gyroscane: a new supramolecular form.', Angewandte Chemie (International Edition), 41, pp. 275 - 277
,2002, 'A highly symmetric lattice of tightly packed supramolecular interactions of [Fe(phen)3]2+ with [HgI3]?, [ClHgI3]2?, and Cl?.', CrystEngComm, 41, pp. 149 - 154
,2002, 'Crystal engineering of hydroxy group hydrogen bonding: Design and synthesis of new diol lattice inclusion hosts', Journal of Organic Chemistry, 67, pp. 3221 - 3230, http://dx.doi.org/10.1021/jo010787r
,2002, 'Crystal packing interpretation of the association of chiral threefold propellor ions: TRISPHAT anion with a triarylcarbenium cation', CrystEngComm, 4, pp. 165 - 170
,2002, 'Dimorphic intramolecular and intermolecular aryl motifs in symmetrical hexafaceted molecules (ArnX)3Y?(Z)?Y(XArn)3.', Chemistry - a European Journal, 8, pp. 5456 - 5468
,2002, 'Dimorphs of (Ph4P)2[Cd2(SPh)6]: crystal packing analyses, and the interplay of intermolecular and intramolecular energies', Crystal Growth and Design, 2, pp. 601 - 607
,2002, 'Metal Cyanide Ions Mx(CN)y]+,- in the Gas Phase: M = Fe, Co, Ni, Zn, Cd, Hg, Fe + Ag, Co + Ag', Inorganic Chemistry, 41, pp. 3560 - 3569
,2002, 'Supramolecular motifs in four pseudo-polymorphic crystals of [Fe(phen)3](I3)2 (solvent): solvent = acetone, CH2Cl2, CH3CN, toluene or H2O.', CrystEngComm, 4, pp. 7 - 12
,2002, 'The generation of gaseous [CoxOy]− clusters and their reactions with alcohols: formation of homoleptic cobalt alkoxides [Co4(OR)8]−', International Journal of Mass Spectrometry, 216, pp. 155 - 168
,2002, 'The Structure of Gas Phase Tin Oxide Ions Generated by Laser Ablation: A Combined Fourier Transform Mass Spectrometry and Density Functional Theory Study', Journal of Cluster Science, 13, pp. 165 - 187
,2002, 'Three-coordinate [Cu(II)X3]? (X = Cl, Br), trapped in a molecular crystal', Chemistry - a European Journal, 8, pp. 1269 - 1278
,2002, 'Title of Article: The crystal packing of [Cd(C4H8N2S)4](BPh4)2?2MeCN, and Cd(C4H8N2S)4](CF3SO3)2. Tetraphenylborate forming an aryl box.', CrystEngComm, 4, pp. 46 - 50
,2002, 'Towards rational syntheses of the elusive metallocarbohedrenes: density functional prescriptions for electronic and geometric structures', Chemistry - a European Journal, 80, pp. 3497 - 3511
,2001, 'Principles of crystal packing and intermolecular motifs for Ph3XSnXPh3, X = C, Si, Ge, Sn', CRYSTENGCOMM, http://dx.doi.org/10.1039/b103381f
,2001, 'A diamondoid supramolecular crystal lattice maintained entirely by sixfold phenyl embraces', CrystEngComm, 12, pp. 1 - 4
,2001, 'Analyses of the crystal packing of (Ph3P)2Ag(O2C2O2)Ag(PPh3)2 and related heavily phenylated molecules: substitutional trimorphism', CrystEngComm, pp. 1 - 7
,2001, 'Bis (tetraphenylphonium) tris (oxal-ato-O,O`) germanate (IV)', ACTA Crystallographica Section C - Crystal Structure Communications, pp. 1030 - 1031
,2001, 'ChemInform Abstract: The Formation, Reactions and Structures of Binary Cobalt Phosphide Clusters [CoxPy]‐ in the Gas Phase.', ChemInform, 32, http://dx.doi.org/10.1002/chin.200118002
,2001, 'Contrasting crystal supramolecularity for [Fe(phen)3]I8 and [Mn(phen)3]I8: complementary orthogonality and complementary helicity', CrystEngComm, 1, pp. 1 - 8
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