By Emeritus Professor Ian Dance

Journal articles

Dance I, 2024, 'The mechanism of Mo-nitrogenase: from N2 capture to first release of NH3.', Dalton Trans, http://dx.doi.org/10.1039/d4dt02606c

Dance I, 2024, 'The activating capture of N2 at the active site of Mo-nitrogenase', Dalton Transactions, 53, pp. 14193 - 14211, http://dx.doi.org/10.1039/d4dt01866d

Dance I, 2024, 'What triggers the coupling of proton transfer and electron transfer at the active site of nitrogenase?', Dalton Transactions, 53, pp. 7996 - 8004, http://dx.doi.org/10.1039/d4dt00474d

Dance I, 2023, 'The binding of reducible N2 in the reaction domain of nitrogenase', Dalton Transactions, 52, pp. 2013 - 2026, http://dx.doi.org/10.1039/d2dt03599e

Dance I, 2023, 'The HD Reaction of Nitrogenase: a Detailed Mechanism', Chemistry - A European Journal, 29, http://dx.doi.org/10.1002/chem.202202502

Dance I, 2022, 'Understanding the tethered unhooking and rehooking of S2B in the reaction domain of FeMo-co, the active site of nitrogenase', Dalton Transactions, 51, pp. 15538 - 15554, http://dx.doi.org/10.1039/d2dt02571j

Dance I, 2022, 'Calculating the chemical mechanism of nitrogenase: new working hypotheses', Dalton Transactions, 51, pp. 12717 - 12728, http://dx.doi.org/10.1039/d2dt01920e

Dance I, 2021, 'Structures and reaction dynamics of N2and H2binding at FeMo-co, the active site of nitrogenase', Dalton Transactions, 50, pp. 18212 - 18237, http://dx.doi.org/10.1039/d1dt03548g

Dance I, 2020, 'Computational Investigations of the Chemical Mechanism of the Enzyme Nitrogenase', ChemBioChem, 21, pp. 1671 - 1709, http://dx.doi.org/10.1002/cbic.201900636

Dance I, 2019, 'How feasible is the reversible S-dissociation mechanism for the activation of FeMo-co, the catalytic site of nitrogenase?', Dalton Transactions, 48, pp. 1251 - 1262, http://dx.doi.org/10.1039/c8dt04531c

Dance I, 2019, 'Survey of the geometric and electronic structures of the key hydrogenated forms of FeMo-co, the active site of the enzyme nitrogenase: Principles of the mechanistically significant coordination chemistry', Inorganics, 7, http://dx.doi.org/10.3390/inorganics7010008

Dance I, 2018, 'What is the role of the isolated small water pool near FeMo-co, the active site of nitrogenase?', FEBS Journal, 285, pp. 2972 - 2986, http://dx.doi.org/10.1111/febs.14519

Dance I, 2018, 'Evaluations of the accuracies of DMol3 density functionals for calculations of experimental binding enthalpies of N2, CO, H2, C2H2 at catalytic metal sites', Molecular Simulation, 44, pp. 568 - 581, http://dx.doi.org/10.1080/08927022.2017.1413711

Dance I, 2017, 'New insights into the reaction capabilities of His¹⁹⁵ adjacent to the active site of nitrogenase', Journal of Inorganic Biochemistry, 169, pp. 32 - 43, http://dx.doi.org/10.1016/j.jinorgbio.2017.01.005

Dance I, 2016, 'Mechanisms of the S/CO/Se interchange reactions at FeMo-co, the active site cluster of nitrogenase', Dalton Transactions, 45, pp. 14285 - 14300, http://dx.doi.org/10.1039/c6dt03159e

Dance I, 2015, 'Misconception of reductive elimination of H2, in the context of the mechanism of nitrogenase', Dalton Transactions, 44, pp. 9027 - 9037, http://dx.doi.org/10.1039/c5dt00771b

Dance I, 2015, 'Protonation of bridging sulfur in cubanoid Fe4S4 clusters causes large geometric changes: The theory of geometric and electronic structure.', Dalton Transactions, 44, pp. 4707 - 4717, http://dx.doi.org/10.1039/c4dt03681f

Dance I, 2015, 'What is the trigger mechanism for the reversal of electron flow in oxygen-tolerant [NiFe] hydrogenases?', Chemical Science, 6, pp. 1433 - 1443, http://dx.doi.org/10.1039/c4sc03223c

Dance I, 2015, 'Activation of N2, the enzymatic way', Zeitschrift fur Anorganische und Allgemeine Chemie, 641, pp. 91 - 99, http://dx.doi.org/10.1002/zaac.201400120

Dance I, 2015, 'The pathway for serial proton supply to the active site of nitrogenase: Enhanced density functional modeling of the Grotthuss mechanism', Dalton Transactions, 44, pp. 18167 - 18186, http://dx.doi.org/10.1039/c5dt03223g

Dance I; Henderson RA, 2014, 'Large structural changes upon protonation of Fe4S4 clusters: The consequences for reactivity', Dalton Transactions, 43, pp. 16213 - 16226, http://dx.doi.org/10.1039/c4dt01687d

Alwaaly A; Dance I; Henderson RA, 2014, 'Unexpected explanation for the enigmatic acid-catalysed reactivity of [Fe4S4X4]²⁻ clusters', Chemical Communications, 50, pp. 4799 - 4802, http://dx.doi.org/10.1039/c4cc00922c

Dance I, 2014, 'ChemInform Abstract: Nitrogenase: A General Hydrogenator of Small Molecules', ChemInform, 45, http://dx.doi.org/10.1002/chin.201401271

Dance I, 2013, 'A molecular pathway for the egress of ammonia produced by nitrogenase', Scientific Reports, 3, pp. 3237, http://dx.doi.org/10.1038/srep03237

Dance I, 2013, 'The stereochemistry and dynamics of the introduction of hydrogen atoms onto FeMo-co, the active site of nitrogenase', Inorganic Chemistry, 52, pp. 13068 - 13077, http://dx.doi.org/10.1021/ic401818k

Dance I, 2013, 'Atomic resolution liquid-cell transmission electron microscopy investigations of the dynamics of nanoparticles in ultrathin liquids', Chemical Communications, 49, pp. 10893 - 10907, http://dx.doi.org/10.1039/c3cc46864j

Dance IG, 2012, 'Ramifications of C-centering rather than N-centering of the active site FeMo-co of the enzyme nitrogenase', Journal of the Royal Chemical Society, Dalton Transactions, 41, pp. 4859 - 4865, http://dx.doi.org/10.1039/c2dt00049k

Dance IG, 2012, 'Roger Bishop's research leadership in crystal engineering and supramolecular chemistry', Australian Journal of Chemistry, 65, pp. 1359 - 1360, http://dx.doi.org/10.1071/CH12277

Dance IG, 2012, 'The controlled relay of multiple protons required at the active site of nitrogenase', Journal of the Royal Chemical Society, Dalton Transactions, 41, pp. 7647 - 7659, http://dx.doi.org/10.1039/c2dt30518f

Dance I, 2011, 'Erratum: A pragmatic method for location of transition states and calculation of reaction paths (Molecular Simulation (2008) 34:10)', Molecular Simulation, 37, pp. 257, http://dx.doi.org/10.1080/08927022.2011.553827

Dance IG, 2011, 'Calculated vibrational frequencies for FeMo-co, the active site of nitrogenase, bearing hydrogen atoms and carbon monoxide', Journal of the Royal Chemical Society, Dalton Transactions, 40, pp. 6480 - 6489, http://dx.doi.org/10.1039/c1dt10505a

Dance IG, 2011, 'Electronic dimensions of FeMo-co, the active site of nitrogenase, and its catalytic intermediates', Inorganic Chemistry, 50, pp. 178 - 192, http://dx.doi.org/10.1021/ic1015884

Dance IG, 2011, 'How does vanadium nitrogenase reduce CO to hydrocarbons?', Journal of the Royal Chemical Society, Dalton Transactions, 40, pp. 5516 - 5527, http://dx.doi.org/10.1039/c1dt10240k

McMurtrie J; Dance IG, 2010, 'Alternative metal grid structures formed by [M(terpy)(2)](2+) and [M(terpyOH)(2)](2+) complexes with small and large tetrahedral dianions, and by [Ru(terpy)(2)](0)', CrystEngComm, 12, pp. 2700 - 2710, http://dx.doi.org/10.1039/B926074A

McMurtrie J; Dance IG, 2010, 'Alternative two-dimensional embrace nets formed by metal complexes of 4 '-phenylterpyridine crystallised with hydrophilic anions', CrystEngComm, 12, pp. 3207 - 3217, http://dx.doi.org/10.1039/c003035j

Dance IG, 2010, 'Mimicking nitrogenase', Journal of the Royal Chemical Society, Dalton Transactions, 39, pp. 2972 - 2983, http://dx.doi.org/10.1039/B922606K

Mcmurtrie JC; Dance IG, 2009, 'Crystal packing in metal complexes of 4⿲-phenylterpyridine and related ligands: Occurrence of the 2D and 1D terpy embrace arrays', CrystEngComm, 11, pp. 1141 - 1149

Dance IG; Scudder ML, 2009, 'Molecules embracing in crystals', CrystEngComm, 11, pp. 2233 - 2247

Dance IG, 2008, 'A pragmatic method for location of transition states and calculation of reaction paths', Molecular Simulation, 34, pp. 923 - 929

Craig DC; Scudder ML; Dance IG, 2008, 'Tetraphenylphosphonium hydrogen oxalate', ACTA Crystallographica Section E - Structure Reports Online, 64, pp. O243 - U4772, http://dx.doi.org/10.1107/S160053680706463X

Dance IG, 2008, 'The chemical mechanism of nitrogenase: calculated details of the intramolecular mechanism for hydrogenation of eta(2)-N-2 on FeMo-co to NH3', Journal of the Royal Chemical Society, Dalton Transactions, pp. 5977 - 5991

Dance IG, 2008, 'The chemical mechanism of nitrogenase: hydrogen tunneling and further aspects of the intramolecular mechanism for hydrogenation of eta(2)-N-2 on FeMo-co to NH3', Journal of the Royal Chemical Society, Dalton Transactions, pp. 5992 - 5998

Dean PA; Craig DC; Scudder ML; Dance IG, 2008, 'The crystallisation and packing of [Cr(C2O4Ag(PPh3)(2))(3)] (Ph3P/Ph3PO) (MeNO2)(4)', CrystEngComm, 10, pp. 1044 - 1046

Dance I, 2007, 'Elucidating the Coordination Chemistry and Mechanism of Biological Nitrogen Fixation', ChemInform, 38, http://dx.doi.org/10.1002/chin.200743222

Dance IG, 2007, 'Elucidating the coordination chemistry and mechanism of biological nitrogen fixation', Chemistry - An Asian Journal, 2, pp. 936 - 946

Harris HH; Dance IG, 2007, 'Iron-carbon clusters: Geometric structures and interconversions', Polyhedron, 26, pp. 250 - 265

Dance IG, 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

Dance IG; Golding RM; Pascual RO; Suvanprakorn C, 2006, 'An NMR study of Solvent Interactions in a Paramagnetic System', Bulletin of the Korean Chemical Society, 27, pp. 1752 - 1756

Colbran SB; Mcdonagh AM; Dance IG; Lucas N; Craig DC, 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

Manifar T; Rohani S; Jennings M; Hairsine D; Dance IG, 2006, 'Crystals of isomeric tritolylamines: embrace motifs in crystals, and their thermochemical properties', CrystEngComm, 8, pp. 59 - 65

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