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Publications
Report Criteria
Type: Journal
Instruments: Koala
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Piltz, R, Accurate data processing for neutron Laue diffractometers,
J. Appl. Crystallogr.
51
(3), 635-645 (2018) (
from Koala
)
DOI
Piltz, R, LaueG software for displaying and processing neutron Laue images,
J. Appl. Crystallogr.
51
(3), 963-965 (2018) (
from Koala
)
DOI
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
McIntyre, GJ, Area detectors in single-crystal neutron diffraction,
J. Phys. D-Appl. Phys.
48
(50), Art. No. 504002 (2015) (
from Koala, Wombat
)
DOI
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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