Publications

Report Criteria
Type: Journal
Instruments: Koala
  1. Hitchings, TJ; Wickins, HM; Peat, GUL; Hodgkinson, P; Srivastava, AK; Lu, T; Liu, Y; Piltz, RO; Demmel, F; Phillips, AE and Saines, PJ, A new avenue to relaxor-like ferroelectric behaviour found by probing the structure and dynamics of [NH3NH2]Mg(HCO2)3, Journal of Materials Chemistry C 11(9695-9706) (2023) (from Koala) DOI
  2. McMullen, JS; Huo, R; Vasko, P; Edwards, AJ and Hicks, J, Anionic Magnesium and Calcium Hydrides: Transforming CO into Unsaturated Disilyl Ethers, Angew. Chem. Int. Ed. Engl. 62, Art. No. e202215218 (2023) (from Koala) DOI
  3. Mullassery, S; Yuvaraj, K; Dange, D; Jones, DDL; del Rosal, I; Piltz, RO; Edwards, AJ; Maron, L and Jones, C, Magnesium(I) Reduction of Aluminum(III) Hydride Complexes: Generation of Mixed Valence Aluminum (AlI/Al0) Hydride Cluster Compounds, [Al6H8(NR3)2{Mg(β-diketiminate)}4]**, Angew. Chem. Int. Ed. Engl. 62(30), Art. No. e202305582 (2023) (from Koala) DOI
  4. Ramette, C; Pressley, L; Avdeev, M; Lee, M; Kushwaha, S; Krogstad, M; Sarker, S; Cardon, P; Ruff, J; Khan, M; Kataoka, K; McQueen, TM and Ji, H, Floating Zone Crystal Growth, Structure, and Properties of a Cubic Li5.5La3Nb1.5Zr0.5O12 Garnet-Type Lithium-Ion Conductor, Journal of Materials Chemistry A 11, 21754-21766 (2023) (from Koala) DOI
  5. Thomas, SP; Singh, A; Grosjean, A; Alhameedi, K; Grønbech, TBE; Piltz, R; Edwards, AJ and Iversen, BB, The Ambiguous Origin of Thermochromism in Molecular Crystals of Dichalcogenides: Chalcogen Bonds versus Dynamic Se−Se/Te−Te Bonds, Angew. Chem. Int. Ed. Engl. 62(45), Art. No. e202311044 (2023) (from Koala) DOI
  6. Zhang, A; Deng, K; Sheng, J; Liu, P; Kumar, S; Shimada, K; Jiang, Z; Liu, Z; Shen, D; Li, J; Ren, J; Wang, L; Zhou, L; Ishikawa, Y; Ohhara, T; Zhang, Q; McIntyre, G; Yu, D; Liu, E; Wu, L; Chen, C and Qihang, L, Chiral Dirac Fermion in a Collinear Antiferromagnet, Chin. Phys. Lett. 40(12), Art. No. 126101 (2023) (from Koala) DOI
  7. Duvinage, D; Puylaert, P; Wieduwilt, EK; Malaspina, LA; Edwards, AJ; Lork, E; Mebs, S; Hupf, E; Grabowsky, S and Beckmann, J, Nickel and Palladium Complexes of a PP(O)P Pincer Ligand Based upon a peri-Substituted Acenaphthyl Scaffold and a Secondary Phosphine Oxide, Inorg. Chem. 61(22), 8406-8418 (2022) (from Koala) DOI
  8. Garçon, M; Phanopoulos, A; Sackman, GA; Richardson, C; White, AJP; Cooper, RI; Edwards, AJ and Crimmin, MR, The Continuum Between Hexagonal Planar and Trigonal Planar Geometries, Angew. Chem. Int. Ed. Engl. 61(44), Art. No. e202211948 (2022) (from Koala) DOI
  9. Kita, A and Morimoto, Y, Hydrogen/Deuterium Exchange Behavior During Denaturing/Refolding Processes Determined in Tetragonal Hen Egg-White Lysozyme Crystals, Mol. Biotechnol. 64(5), 590-597 (2022) (from Koala) DOI
  10. Novelli, G; Kamenev, KV; Maynard-Casely, HE; Parsons, S and McIntyre, GJ, Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate, IUCrJ 9(1), 73-85 (2022) (from Koala) DOI
  11. Peets, DC; Avdeev, M; Rahn, MC; Pabst, F; Granovsky, S; Stötzer, M and Inosov, DS, Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K2Cu(SO4)2·6H2O, ACS Omega 7(6), 5139-5145 (2022) (from Koala) DOI
  12. Richardson, GM; Howarth, J; Evans, MJ; Edwards, AJ; Cameron, SA and Anker, MD, Reactivity of a β-diketiminate ytterbium(II) hydride with cyclopentadiene derivatives, J. Coord. Chem. 75(11-14), 1954-1966 (2022) (from Koala) DOI
  13. Grosjean, A; Spackman, PR; Edwards, AJ; Tolborg, K; Vosegaard, ES; Koutsantonis, GA; Iversen BB; and Spackman, MA , Insights into Host–Guest Binding in Hydroquinone Clathrates: Single-Crystal X-ray and Neutron Diffraction, and Complementary Computational Studies on the Hydroquinone-CO2 Clathrate, Cryst. Growth Des 21(6), 3477-3486 (2021) (from Koala) DOI
  14. Luxenburger, A; Harris, LD; Ure, EM; Landaeta Aponte, RA; Woolhouse, AD; Cameron, SA; Ling, CD; Piltz, RO; Lewis, AR; Gainsford, GJ; Weymouth-Wilson, A and Furneaux, RH, Synthesis of 12β-Methyl-18-nor-bile Acids, ACS Omega 6(38), 25019-25039 (2021) (from Koala) DOI
  15. McMullen, JS; Edwards, AJ and Hicks, J, C-H and C-F coordination of arenes in neutral alkaline earth metal complexes, Dalton Trans. 50, 25 (2021) (from Koala) DOI
  16. Nawa, K; Avdeev, M; Berdonosov, P; Sobolev, A; Presniakov, I; Aslandukova, A; Kozlyakova, E; Vasiliev, A; Shchetinin, I and Sato, TJ, Magnetic structure study of the sawtooth chain antiferromagnet Fe2Se2O7, Sci Rep 11, 24049 (2021) (from Echidna, Koala) DOI
  17. Novelli, G; McMonagle, CJ; Kleemiss, F; Probert, M; Puschmann, H; Grabowsky, S; Maynard-Casely, HE; McIntyre, GJ and Parsons, S, Accurate H-atom parameters for the two polymorphs of L-histidine at 5, 105 and 295 K, Acta Crystallogr., Sect. B: Struct. Sci. 77(5), 785-800 (2021) (from Koala) DOI
  18. Paparo, A; Matthews, AJR; Smith, CD; Edwards, AJ; Yuvaraj K and Jones, C, N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies, Dalton Trans. 50(22), 7604-7609 (2021) (from Koala) DOI
  19. Thomson, AR; Piltz, RO; Crichton, WA; Cerantola, V; Ezad, IS; Dobson, DP; Wood, IG and Brodholt, JP, Incorporation of tetrahedral ferric iron into hydrous ringwoodite, Am. Mineral. 106(6), 900-908 (2021) (from Koala) DOI
  20. Abdelbassit, MS; Curnow, OJ; Libowitzky, E; Piltz, RO and Polson, MIJ, A Discrete Chloride Monohydrate: A Solid-State Structural and Spectroscopic Characterization, J. Phys. Chem. A 124(44), 9244-9251 (2020) (from Koala) DOI
  21. Chen, R; Qin, G; Li, S; Edwards, AJ; Piltz, RO; Del Rosal, I; Maron, L; Cui, D and Cheng, J, Molecular Thorium Trihydrido Clusters Stabilized by Cyclopentadienyl Ligands, Angew. Chem. Int. Ed. Engl. 59(28), 11250-11255 (2020) (from Koala) DOI
  22. Kita, A and Morimoto, Y, Hydrogen/deuterium exchange behavior in tetragonal hen egg-white lysozyme crystals affected by solution state, J. Appl. Crystallogr. 53(3), 837-840 (2020) (from Koala) DOI
  23. Pal, R; Jelsch, C; Malaspina, LA; Edwards, AJ; Murshed, MM and Grabowsky, S, syn and anti polymorphs of 2,6-dimethoxy benzoic acid and its molecular and ionic cocrystals: Structural analysis and energetic perspective, Journal of Molecular Structure 1221 (2020) (from Koala) DOI
  24. Garçon, M; Bakewell, C; Sackman, GA; White, AJP; Cooper, RI; Edwards, AJ and Crimmin, MR, A hexagonal planar transition-metal complex, Nature 574, 390–393 (2019) (from Koala) DOI
  25. Hooper, TN; Lau, S; Chen, W; Brown, RK; Garçon, M; Luong, K; Barrow, NS; Tatton, AS; Sackman, GA; Richardson, C; White, AJP; Cooper, RI; Edwards, AJ; Casely, IJ and Crimmin, MR, The partial dehydrogenation of aluminium dihydrides, Chem. Sci. 10 (35), 8083-8093 (2019) (from Koala) DOI
  26. Hupf, E; Malaspina, LA; Holsten, S; Kleemiss, F; Edwards, AJ; Price, JR; Kozich, V; Heyne, K; Mebs, S; Grabowsky, S and Beckmann, J, Proximity Enforced Agostic Interactions Involving Closed-Shell Coinage Metal Ions, Inorg. Chem. 58(24), 16372-16378 (2019) (from Koala) DOI
  27. Malaspina, LA; Wieduwilt, EK; Bergmann, J; Kleemiss, F; Meyer, B; Ruiz-López, MF; Pal, R; Hupf, E; Beckmann, J; Piltz, RO; Edwards, AJ; Grabowsky, S and Genoni, A, Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy, Journal of Physical Chemistry Letters 10(22), 6973-6982 (2019) (from Koala) DOI
  28. Sarkar, S; Thomas, SP; Potnuru, LR; Edwards, AJ; Grosjean, A; Ramanathan, KV and Guru Row, TN, Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions, Journal of Physical Chemistry Letters 10(22), 7224-7229 (2019) (from Koala) DOI
  29. Schwamm, RJ; Edwards, AJ; Fitchett, CM and Coles, MP, A study of di(amino)stibines with terminal Sb(iii) hydrogen-ligands by X-ray- and neutron-diffraction, Dalton Trans. 48(9), 2953-2958 (2019) (from Koala) DOI
  30. Song, Y; Liu, X; Wu, D; Yao, Q; Wen, C; Avdeev, M; Peng, R; Xu, H; Miao, J; Lou, X; Fang, Y; Pan, B; Wang, N; Peets, DC and Feng, D, Magnetic and electronic properties of single-crystalline BaCoSO, Phys. Rev. B 100(20), 205130 (2019) (from Koala) DOI
  31. Thomas, SP; Grosjean, A; Flematti, GR; Karton, A; Sobolev, AN; Edwards, AJ; Piltz, RO; Iversen, BB; Koutsantonis, GA and Spackman, MA, Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism, Angew. Chem. Int. Ed. Engl. 58(30), 10255-10259 (2019) (from Koala) DOI
  32. Bonyhady, SJ; Collis, D; Holzmann, N; Edwards, AJ; Piltz, RO; Frenking, G; Stasch, A and Jones, C, Anion stabilised hypercloso-hexaalane Al6H6, Nat. Commun. 9(1), 3079 (2018) (from Koala) DOI
  33. Klahn, EA; Gao, C; Gillon, B; Gukasov, A; Fabrèges, X; Piltz, RO; Jiang, SD and Overgaard, J, Mapping the Magnetic Anisotropy at the Atomic Scale in Dysprosium Single-Molecule Magnets, Chem.-Eur. J. (2018) (from Koala) DOI
  34. Li, J; Ma, HZ; Reid, GE; Edwards, AJ; Hong, Y; White, JM; Mulder, RJ and O'Hair, RAJ, Synthesis and X-Ray Crystallographic Characterisation of Frustum-Shaped Ligated [Cu18H16(DPPE)6]2+ and [Cu16H14(DPPA)6]2+ Nanoclusters and Studies on Their H2 Evolution Reactions, Chem.-Eur. J. 24(9), 2070-2074 (2018) (from Koala) DOI
  35. Nakamura, S; Maljuk, A; Maruyama, Y; Nagao, M; Watauchi, S; Hayashi, T; Anzai, Y; Furukawa, Y; Ling, CD; Deng, G; Avdeev, M; Buechner, B and Tanaka, I, Growth of LiCoO2 single crystals by the TSFZ method, Cryst. Growth Des 19(1), 415-420 (2018) (from Koala) DOI
  36. Piltz, R, Accurate data processing for neutron Laue diffractometers, J. Appl. Crystallogr. 51(3), 635-645 (2018) (from Koala) DOI
  37. Piltz, R, LaueG software for displaying and processing neutron Laue images, J. Appl. Crystallogr. 51(3), 963-965 (2018) (from Koala) DOI
  38. Abdalla,J; Caise, A; Sindlinger, C; Tirfoin, R; Thompson, A; Edwards, A; Aldridge, S, Structural snapshots of concerted double E-H bond activation at a transition metal center, Nat. Chem. 9, 1256–1262 (2017) (from Koala) DOI
  39. Caise, A; Abdalla, JAB; Tirfoin, R; Edwards, AJ and Aldridge, S, A Gallium Hydride as an Oxidizing Agent: Direct Synthesis of IrV Complexes via Ga−H Bond Activation, Chem.-Eur. J. 23(66), 16906-16913 (2017) (from Koala) DOI
  40. Gatta, GD; McIntyre, GJ; Oberti, R and Hawthorne, FC, Order of [6]Ti4+ in a Ti-rich calcium amphibole from Kaersut, Greenland: a combined X-ray and neutron diffraction study, Phys. Chem. Miner. 44(2), 83-94 (2017) (from Koala) DOI
  41. Thomas, SP; Shi, MW; Koutsantonis, GA; Jayatilaka, D; Edwards, AJ and Spackman, MA, The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi-isotropic Crystal Packing, Angew. Chem. Int. Ed. Engl. 56(29), 8468-8472 (2017) (from Koala) DOI
  42. Althagbi, HI; Edwards, AJ; Nicholson, BK; Reason, DA; Saunders, GC; Sim, SA and van der Heijden, DA, Arene-Perfluoroarene-Anion Stacking and Hydrogen Bonding Interactions in Imidazolium Salts for the Crystal Engineering of Polarity, Cryst. Growth Des 16(1), 174-188 (2016) (from Koala) DOI
  43. An, T; Baikie, T; Orera, A; Piltz, RO; Meven, M; Slater, PR; Wei, J; Sanjuan, ML and White, TJ, Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes, J. Am. Chem. Soc. 138(13), 4468-4483 (2016) (from Koala) DOI
  44. Binns, J; Kamenev, KV; McIntyre, GJ; Moggach, SA and Parsons, S, Use of a miniature diamond-anvil cell in high-pressure single-crystal neutron Laue diffraction, IUCrJ 3(3), 168-179 (2016) (from Koala) DOI
  45. Binns, J; McIntyre, GJ and Parsons, S, Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate, Acta Crystallogr., Sect. B: Struct. Sci. 72(6), 855-863 (2016) (from Koala) DOI
  46. Binns, J; Parsons, S and McIntyre, GJ, Accurate hydrogen parameters for the amino acid L-leucine, Acta Crystallogr., Sect. B: Struct. Sci. 72(6), 885-892 (2016) (from Koala) DOI
  47. Chadwick, FM; Kramer, T; Gutmann, T; Rees, NH; Thompson, AL; Edwards, AJ; Buntkowsky, G; Macgregor, SA and Weller, AS, , Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange, J. Am. Chem. Soc. 138(40), 13369-13378 (2016) (from Koala) DOI
  48. Cole, JM; Lin, T-C; Ashcroft, CM; Perez-Moreno, J; Tan, Y; Venkatesan, P; Higginbotham, AP; Pattison, P; Edwards, AJ; Piltz, RO; Clays, K and Ilangovan, A, Relating the Structure of Geminal Amido Esters to their Molecular Hyperpolarizability, J. Phys. Chem. C 120(51), 29439-29448 (2016) (from Koala) DOI
  49. Ellis, TK; Kearley, GJ; Piltz, RO; Jayasooriya, UA and Stride, JA, Achirality in the low temperature structure and lattice modes of tris(acetylacetonate)iron(III), Dalton Trans. 45(19), 8278-8283 (2016) (from Computing Cluster, Koala) DOI
  50. Gatta, GD; Redhammer, GJ; Vignola, P; Meven, M and McIntyre, GJ, Single-crystal neutron diffraction and Mössbauer spectroscopic study of hureaulite, (Mn,Fe)5(PO4)2(HPO4)2(H2O)4, Eur. J. Mineral. 28(1), 93-103 (2016) (from Koala) DOI
  51. Lançon, D; Walker, HC; Ressouche, E; Ouladdiaf, B; Rule, KC; McIntyre, GJ; Hicks, T; Rønnow, HM and Wildes, AR, Magnetic structure and magnon dynamics of the quasi-two-dimensional antiferromagnet FePS3, Phys. Rev. B 94(21), 214407 (2016) (from Koala, Taipan) DOI
  52. Schwamm, RJ; Vianello, R; Marsavelski, A; Garcia, MA; Claramunt, RM; Alkorta, I; Saame, J; Leito, I; Fitchett, CM; Edwards, AJ and Coles, MP, N-15 NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases, J. Org. Chem. 81(17), 7612-7625 (2016) (from Koala) DOI
  53. Auckett, JE; McIntyre, GJ; Avdeev, M; De Bruyn, H; Tan, TT; Li, S and Ling, CD, Neutron Laue diffraction study of the complex low-temperature magnetic behaviour of brownmillerite-type Ca2Fe2O5, J. Appl. Crystallogr. 48(1), 273-279 (2015) (from Echidna, Koala) DOI
  54. Baikie, T; Barrow, NS; Fang, YA; Keenan, PJ; Slater, PR; Piltz, RO; Gutmann, M; Mhaisalkar, SG and White, TJ, A combined single crystal neutron/X-ray diffraction and solid-state nuclear magnetic resonance study of the hybrid perovskites CH3NH3PbX3 (X = I, Br and Cl), Journal of Materials Chemistry A 3(17), 9298-9307 (2015) (from Koala) DOI
  55. Cole, JM; Lin, T-C; Edwards, AJ; Piltz, RO; Depotter, G; Clays, K; Lee, S-C and Kwon, OP, Concerted Mitigation of O...H and C(π)...H Interactions Prospects Sixfold Gain in Optical Nonlinearity of Ionic Stilbazolium Derivatives, ACS Appl. Mater. Interfaces 7(8), 4693-4698 (2015) (from Koala) DOI
  56. Fucke, K; McIntyre, GJ; Lemée-Cailleau, MH; Wilkinson, C; Edwards, AJ; Howard, JAK and Steed, JW, Insights into the Crystallisation Process from Anhydrous, Hydrated and Solvated Crystal Forms of Diatrizoic Acid, Chem.-Eur. J. 21(3), 1036-1047 (2015) (from Koala) DOI
  57. Gitgeatpong, G; Zhao, Y; Avdeev, M; Piltz, RO; Sato, TJ and Matan, K, Magnetic structure and Dzyaloshinskii-Moriya interaction in the S=1/2 helical-honeycomb antiferromagnet α-Cu2V2O7 , Phys. Rev. B 92(2), Art. No. 024423 (2015) (from Echidna, Koala) DOI
  58. McIntyre, GJ, Area detectors in single-crystal neutron diffraction, J. Phys. D-Appl. Phys. 48(50), Art. No. 504002 (2015) (from Koala, Wombat) DOI
  59. Suh, H-W; Balcells, D; Edwards, AJ; Guard, LM; Hazari, N; Mader, EA; Mercado, BQ and Repisky, M, Understanding the Solution and Solid-State Structures of Pd and Pt PSiP Pincer-Supported Hydrides, Inorg. Chem. 54(23), 11411-11422 (2015) (from Koala) DOI
  60. Vanston, CR; Kearley, GJ; Edwards, AJ; Darwish, TA; de Souza, NR; Ramirez-Cuesta, AJ and Gardiner, MG, The free-energy barrier to hydride transfer across a dipalladium complex, Faraday Discuss. 177, 99-109 (2015) (from Koala, NDF - Chemical Deuteration) DOI
  61. Wind, J; Auckett, JE; Withers, RL; Piltz, RO; Maljuk, A and Ling, CD, Type II Bi(1-x)WxO(1.5+1.5x): a (3+3)-dimensional commensurate modulation that stabilizes the fast-ion conducting delta phase of bismuth oxide, Acta Crystallogr., Sect. B: Struct. Sci. 71(6), 679-687 (2015) (from Koala) DOI
  62. Zerdane, S; Mariette, C; McIntyre, GJ; Lemee-Cailleau, M-H; Rabiller, P; Guerin, L; Ameline, JC and Toudic, B, Neutron Laue and X-ray diffraction study of a new crystallographic superspace phase in n-nonadecane-urea, Acta Crystallogr., Sect. B: Struct. Sci. 71(3), 293-299 (2015) (from Koala) DOI
  63. An, T; Orera, A; Baikie, T; Herrin, JS; Piltz, RO; Slater, PR; White, TJ and Sanjuan, ML, Structural Study of the Apatite Nd8Sr2Si6O26 by Laue Neutron Diffraction and Single-Crystal Raman Spectroscopy, Inorg. Chem. 53(17), 9416-9423 (2014) (from Koala) DOI
  64. Duyker, SG; Halder, GJ; Southon, PD; Price, DJ; Edwards, AJ; Peterson, VK and Kepert, CJ, Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6[middle dot]nH2O and flexible ALnFeII(CN)6[middle dot]nH2O frameworks (A = Li, Na, K; Ln = La-Lu, Y; M = Co, Fe; 0 [less-than-or-equal] n [less-than-or-equal] 5), Chem. Sci. 5(9), 3409-3417 (2014) (from Koala) DOI
  65. Edwards, AJ; Dhayal, RS; Liao, P-K; Liao, J-H; Chiang, M-H; Piltz, RO; Kahlal, S; Saillard, J-Y and Liu, CW, Chinese Puzzle Molecule: A 15 Hydride, 28 Copper Atom Nanoball, Angew. Chem. Int. Ed. Engl. 126(28), 7342-7346 (2014) (from Koala) DOI
  66. Emerson, AJ; Edwards, AJ; Batten, SR and Turner, DR, A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates, CrystEngComm 16(9), 1625-1631 (2014) (from Koala) DOI
  67. Lubben, J; Volkmann, C; Grabowsky, S; Edwards, A; Morgenroth, W; Fabbiani, FPA; Sheldrick, GM and Dittrich, B, On the temperature dependence of H-Uiso in the riding hydrogen model, Acta Crystallogr. Sect. A 70(4), 309-316 (2014) (from Koala) DOI
  68. Macreadie, LK; Edwards, AJ; Chesman, ASR and Turner, DR, Hydrogen Bonding of O-Ethylxanthate Compounds and Neutron Structural Determination of C-H...S Interactions, Aus. J. Chem. 67(12), 1829-1839 (2014) (from Koala) DOI
  69. Overgaard, J; Walsh, JPS; Hathwar, VR; Lorgensen, MRV; Hoffinan, C; Platts, JA; Piltz, R and Winpenny, REP, Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes, Inorg. Chem. 53(21), 11531-11539 (2014) (from Koala) DOI
  70. Woinska, M; Jayatilaka, D; Spackman, MA; Edwards, AJ; Dominiak, PM; Wozniak, K; Nishibori, E; Sugimoto, K and Grabowsky, S, Hirshfeld atom refinement for modeling strong hydrogen bonds, Acta Crystallogr. Sect. A 70(5), 483-498 (2014) (from Koala) DOI
  71. Zavras, A; Khairallah, GN; Connell, TU; White, JM; Edwards, AJ; Mulder, RJ; Donnelly, PS and O’Hair, RAJ, Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of the Silver Hydride Nanocluster [Ag3((PPh2)2CH2)3(mu3-H)](BF4)2, Inorg. Chem. 53(14), 7429-7437 (2014) (from Koala) DOI
  72. Christensen, S; Avila, MA; Suekuni, K; Piltz, R; Takabatake, T and Christensen, M, Combined X-ray and neutron diffraction study of vacancies and disorder in the dimorphic clathrate Ba8Ga16Sn30 of type I and VIII, Dalton Trans. 42(41), 14766-14775 (2013) (from Koala) DOI
  73. Fucke, K; Edwards, AJ; Probert, MR; Tallentire, SE; Howard, JAK and Steed, JW, Unexpected Low-Temperature Behaviour of Piroxicam Monohydrate, ChemPhysChem 14(4), 675-679 (2013) (from Koala) DOI
  74. Lin, T-C; Cole, JM; Higginbotham, AP; Edwards, AJ; Piltz, RO; Pérez-Moreno, J; Seo, J-Y; Lee, S-C; Clays, K and Kwon, OP, Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations, J. Phys. Chem. C 117(18), 9416-9430 (2013) (from Koala) DOI
  75. Lock, N; Christensen, M; Wu, Y; Peterson, VK; Thomsen, MK; Piltz, RO; Ramirez-Cuesta, AJ; McIntyre, GJ; Noren, K; Kutteh, R; Kepert, CJ; Kearley, GJ and Iversen, BB, Scrutinizing negative thermal expansion in MOF-5 by scattering techniques and ab initio calculations, Dalton Trans. 42(6), 1996-2007 (2013) (from Computing Cluster, Echidna, Koala) DOI
  76. McCormick, LJ; McDonnell-Worth, C; Platts, JA; Edwards, AJ and Turner, DR, Investigation of Steric Influences on Hydrogen-Bonding Motifs in Cyclic Ureas by Using X-Ray, Neutron, and Computational Methods, Chem.-Asian J. 8(11), 2642-2651 (2013) (from Koala) DOI
  77. Zavras, A; Khairallah, GN; Connell, TU; White, JM; Edwards, AJ; Donnelly, PS and O'Hair, RAJ, Synthesis, Structure and Gas-Phase Reactivity of a Silver Hydride Complex [Ag3{(PPh2)2CH2}3(μ3-H)(μ3-Cl)]BF4, Angew. Chem. Int. Ed. Engl. 52(32), 8391-8394 (2013) (from Koala) DOI
  78. Gatta, GD; McIntyre, GJ; Bromiley, G; Guastoni, A and Nestola, F, A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F), Am. Mineral. 97(11-12), 1891-1897 (2012) (from Koala) DOI
  79. Liao, P-K; Fang, C-S; Edwards, AJ; Kahlal, S; Saillard, J-Y and Liu, CW, Hydrido Copper Clusters Supported by Dithiocarbamates: Oxidative Hydride Removal and Neutron Diffraction Analysis of [Cu7(H){S2C(aza-15-crown-5)}6], Inorg. Chem. 51(12), 6577-6591 (2012) (from Koala) DOI
  80. Miiller, W; Auckett, J; Avdeev, M and Ling, CD, Coexistence of spin glass and antiferromagnetic orders in Ba3Fe2.15W0.85O8.72, J. Phys.: Condens. Matter 24(20), Art. No. 206004 (2012) (from Computing Cluster, Echidna, Koala) DOI
  81. Sang, Y; Yu, D; Avdeev, M; Piltz, R; Sharma, N; Ye, N; Liu, H and Wang, J, X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2, CrystEngComm 14(18), 6079-6084 (2012) (from Echidna, Koala) DOI
  82. Turner, DR; Edwards, AJ and Piltz, RO, Nitrile groups as hydrogen-bond acceptors in a donor-rich hydrogen-bonding network, CrystEngComm 14(20), 6447-6451 (2012) (from Koala) DOI
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