Ysgol Cemeg

2018 publications

Mae'r cynnwys hwn ar gael yn Saesneg yn unig.

Abagale, S. A. et al., 2018. (2R,5S)-Theaspirane Identified as the Kairomone for the Banana Weevil, Cosmopolites sordidus, from Attractive Senesced Leaves of the Host Banana, Musa spp.. Chemistry - a European Journal 24 (37), pp.9217-9219. (10.1002/chem.201800315)
Abayakoon, P. et al., 2018. Structural and biochemical insights into the function and evolution of sulfoquinovosidases. ACS Central Science 4 (9), pp.1266-1273. (10.1021/acscentsci.8b00453)
Abayakoon, P. et al., 2018. Discovery and characterization of a sulfoquinovose mutarotase using kinetic analysis at equilibrium by exchange spectroscopy. Biochemical Journal 475 (7), pp.1371-1383. BCJ20170947. (10.1042/BCJ20170947)
Abis, L. 2018. Gold and gold-palladium catalysts synthesized by a modified Sol-immobilisation method for thermal and plasmonic glycerol oxidation. PhD Thesis , Cardiff University.
Adamik, R. et al., 2018. Platinum nanoparticle inclusion into a carbonized polymer of intrinsic microporosity: electrochemical characteristics of a catalyst for electroless hydrogen peroxide production. Nanomaterials 8 (7) 542. (10.3390/nano8070542)
Adesina, A. 2018. Probing the basis of catalysis of dihydrofolate reductase. PhD Thesis , Cardiff University.
Adishev, A. et al., 2018. Control of catalytic nanoparticle synthesis: general discussion. Faraday Discussions 208 , pp.471-495. (10.1039/C8FD90015A)
Agarwal, N. 2018. Low temperature selective oxidation of methane using hydrogen peroxide and oxygen. PhD Thesis , Cardiff University.
Agarwal, N. et al. 2018. Low temperature selective methane oxidation to methanol utilizing molecular oxygen with gold palladium colloidal catalysts. Presented at: 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water New Orleans, LA, USA 18-22 March 2018. Abstracts of Papers of the American Chemical Society. Vol. 255.American Chemical Society. , pp.35.
Aher, R. et al., 2018. Hydrothermal synthesis of rGO–PbBi2Se4 composite and investigation of its structural, chemical and field emission properties. Journal of Materials Science: Materials in Electronics 29 (12), pp.10494-10503. (10.1007/s10854-018-9114-0)
Ahmed, N. 2018. Peptide bond frmations through flow chemistry. Chemical Biology and Drug Design 91 (2), pp.647-650. (10.1111/cbdd.13115)
Ahmed, N. and Khatoon, S. 2018. Facile electrochemical intramolecular amination of urea-tethered terminal alkenes for the synthesis of cyclic ureas. ChemistryOpen 7 (8), pp.576-582. (10.1002/open.201800064)
Ahmed, N. , Khatoon, S. and Shirinfar, B. 2018. Radical diazidation of alkenes: Cu/Fe/Mn catalysis and electrochemical support. ChemElectroChem 5 (9), pp.1245-1248. (10.1002/celc.201800160)
Aikman, B. et al. 2018. Aquaporins in cancer development: opportunities for bioinorganic chemistry to contribute novel chemical probes and therapeutic agents. Metallomics 10 (5), pp.696-712. (10.1039/C8MT00072G)
Aikman, B. et al. 2018. Gold(III) pyridine-benzimidazole complexes as aquaglyceroporin inhibitors and antiproliferative agents. Inorganics 6 (4) 123. (10.3390/inorganics6040123)
Akimenko, S. S. et al., 2018. Remnants of the devil's staircase of phase transitions in the model of dimer adsorption at nonzero temperature. Physical Review B 97 (8) 085408. (10.1103/PhysRevB.97.085408)
Al-Wafi, H. 2018. Synthesis and biological studies of cyclic peptides. PhD Thesis , Cardiff University.
Albalawi, K. 2018. A double competition dialysis assay for the analysis of the distribution of optoelectronically active components over nucleic acid structures. PhD Thesis , Cardiff University.
Alqahtani, H. 2018. Ab initio and force field investigations of physical hydrogen adsorption in Zeolitic Imidazole Frameworks. PhD Thesis , Cardiff University.
Alshammari, K. 2018. Heterogeneous catalysis using supported metal nanoparticles for environmental applications. PhD Thesis , Cardiff University.
Aniagyei, A. et al., 2018. Ab initio investigation of O2 adsorption on Ca-doped LaMnO3 cathodes in solid oxide fuel cells. Physical Chemistry Chemical Physics 20 (45), pp.28685. 28685. (10.1039/C8CP02137F)
Aparicio Sanchez, P. et al. 2018. A Computational study of NaVOPO4 polymorphs as cathode materials for Na-Ion batteries: Diffusion, electronic properties and cation doping behavior. Journal of Physical Chemistry C 122 (45), pp.25829-25836. (10.1021/acs.jpcc.8b07797)
Armstrong, R. et al. 2018. The role of copper speciation in the low temperature oxidative upgrading of short chain alkanes over Cu/ZSM-5 catalysts. ChemPhysChem 19 (4), pp.469-478. (10.1002/cphc.201701046)
Arratibel, A. et al., 2018. Unravelling the transport mechanism of pore-filled membranes for hydrogen separation. Separation and Purification Technology 203 , pp.41-47. (10.1016/j.seppur.2018.04.016)
Arrigo, R. et al., 2018. Theory as a driving force to understand reactions on nanoparticles: general discussion. Faraday Discussions 208 , pp.147-185. (10.1039/C8FD90013B)
Arrigo, R. , Logsdail, A. J. and Torrente-Murciano, L. 2018. Highlights from faraday discussion on designing nanoparticle systems for catalysis, London, UK, May 2018. Chemical Communications 54 (68), pp.9385-9393. (10.1039/C8CC90324G)
Arroyo-Crespo, J. J. et al., 2018. Anticancer activity driven by drug linker modification in a polyglutamic acid-based combination-drug conjugate. Advanced Functional Materials 28 (22) 1800931. (10.1002/adfm.201800931)
Arvanitidis, A. G. et al. 2018. Valence bonds in elongated boron clusters. International Journal of Quantum Chemistry 118 (13) e25575. (10.1002/qua.25575)
Ayres, J. 2018. Exploring new synthetic routes towards cyanamides. PhD Thesis , Cardiff University.
Ayres, J. N. et al. 2018. Synthesis and reactivity of N-allenyl cyanamides. Organic Letters 20 (17), pp.5282-5285. (10.1021/acs.orglett.8b02225)
Baashen, M. et al., 2018. Crystal structure of 1-phenyl-N′-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbohydrazide, C28H20N6O2S2. Zeitschrift für Kristallographie - New Crystal Structures 233 (4), pp.617-619. (10.1515/ncrs-2017-0375)
Bacic, Z. et al., 2018. Precise characterisation of isolated molecules: general discussion. Faraday Discussions 212 , pp.137-155. (10.1039/C8FD90050G)
Bae, Y. J. et al., 2018. Singlet Fission in 9,10-Bis(phenylethynyl)anthracene thin films. Journal of the American Chemical Society 140 (45), pp.15140-15144. (10.1021/jacs.8b07498)
Bahruji, H. et al. 2018. Hydrogenation of CO2 to dimethyl ether over brønsted acidic PdZn catalysts. Industrial and Engineering Chemistry Research 57 (20), pp.6821-6829. (10.1021/acs.iecr.8b00230)
Bahruji, H. et al. 2018. Correction to: Solvent free synthesis of PdZn/TiO2 catalysts for the hydrogenation of CO2 to methanol. Topics in Catalysis (10.1007/s11244-018-1081-4)
Bahruji, H. et al. 2018. Solvent free synthesis of PdZn/TiO2 catalysts for the hydrogenation of CO2 to methanol. Topics in Catalysis 61 (3-4), pp.144-153. (10.1007/s11244-018-0885-6)
Baker, A. B. , Wass, D. F. and Trask, R. S. 2018. Thermally induced reversible and reprogrammable actuation of tough hydrogels utilising ionoprinting and iron coordination chemistry. Sensors and Actuators B: Chemical 254 , pp.519-525. (10.1016/j.snb.2017.07.095)
Baletto, F. et al., 2018. Application of new nanoparticle structures as catalysts: general discussion. Faraday Discussions 208 , pp.575-593. (10.1039/C8FD90016G)
Ballard, A. et al., 2018. Quantitative prediction of rate constants for aqueous racemization to avoid pointless stereoselective syntheses. Angewandte Chemie International Edition 57 (4), pp.982-985. (10.1002/anie.201709163)
Behiry, E. M. et al. 2018. Isotope substitution of promiscuous alcohol dehydrogenase reveals the origin of substrate preference in the transition state. Angewandte Chemie International Edition 57 (12), pp.3128-3131. (10.1002/anie.201712826)
Belli Dell'Amico, D. et al., 2018. Clean oxidations by iodobenzene dichloride: Platinum(IV) complexes containing triphenylphosphine. Polyhedron 145 , pp.63-69. (10.1016/j.poly.2018.01.033)
Bezzu, C. G. et al. 2018. The synthesis, chain-packing simulation and long-term gas permeability of highly selective spirobifluorene-based polymers of intrinsic microporosity. Journal of Materials Chemistry A 6 (22), pp.10507-10514. (10.1039/C8TA02601G)
Biot, N. and Bonifazi, D. 2018. Programming recognition arrays through double chalcogen-bonding interactions. Chemistry - a European Journal 24 (21), pp.5439-5443. (10.1002/chem.201705428)
Bistoni, G. et al., 2018. Toward accurate QM/MM reaction barriers with large QM regions using domain based pair natural orbital coupled cluster theory. Journal of Chemical Theory and Computation 14 (7), pp.3524-3531. (10.1021/acs.jctc.8b00348)
Black, J. A. and Knowles, P. J. 2018. Quasi-variational coupled-cluster theory: Performance of perturbative treatments of connected triple excitations. Journal of Chemical Physics 148 (19), pp.-. 194102. (10.1063/1.5006037)
Black, J. A. and Knowles, P. J. 2018. Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory. Molecular Physics 116 (11), pp.1421-1427. (10.1080/00268976.2017.1400698)
Bonifazi, D. et al. 2018. Oxygen-doped zig-zag molecular ribbons. Angewandte Chemie - International Edition 57 (29), pp.8942-8946. (10.1002/anie.201803282)
Bonsignore, R. et al. 2018. The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA. Journal of Inorganic Biochemistry 178 , pp.106-114. (10.1016/j.jinorgbio.2017.10.010)
Boscutti, G. et al., 2018. Anticancer gold(III) peptidomimetics: from synthesis to in vitro and ex vivo biological evaluation. ChemMedChem 13 (11), pp.1131-1145. (10.1002/cmdc.201800098)
Bowden, B. et al., 2018. The deposition of metal nanoparticles on carbon surfaces: the role of specific functional groups. Faraday Discussions 208 , pp.455-470. (10.1039/C7FD00210F)
Brookes, C. et al., 2018. Correction: In situ spectroscopic investigations of MoOx/Fe2O3 catalysts for the selective oxidation of methanol. Catalysis Science & Technology 8 (11), pp.2998. (10.1039/C8CY90033G)
Buckeridge, J. et al., 2018. Deep vs shallow nature of oxygen vacancies and consequent n -type carrier concentrations in transparent conducting oxides. Physical Review Materials 2 (5), pp.-. 054604. (10.1103/PhysRevMaterials.2.054604)
Buckingham, M. A. et al., 2018. Electrochemically driven C-H hydrogen abstraction processes with the tetrachloro-phthalimido-N-oxyl (Cl4PINO) catalyst. Electroanalysis 30 (8), pp.1698-1705. (10.1002/elan.201800147)
Cadi-Essadek, A. , Roldan Martinez, A. and De Leeuw, N. H. 2018. Stability and mobility of supported Nin (n = 1-10) clusters on ZrO2(111) and YSZ(111) surfaces: a density functional theory study. Faraday Discussions 208 , pp.87-104. (10.1039/C7FD00217C)
Callison, J. et al., 2018. Directed aqueous-phase reforming of glycerol through tailored platinum nanoparticles. Applied Catalysis B: Environmental 238 , pp.618-628. (10.1016/j.apcatb.2018.07.008)
Callison, J. et al., 2018. Directed Glycerol reforming through tailored platinum nanoparticles. Presented at: 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water New Orleans, LA, USA 18-22 March 2018. Abstracts of Papers of the American Chemical Society. Vol. 255.American Chemical Society. , pp.373.
Campisi, S. et al., 2018. Controlling the incorporation of phosphorus functionalities on carbon nanofibers: effects on the catalytic performance of fructose dehydration. C 4 (1) 9. (10.3390/c4010009)
Cao, Q. et al. 2018. Translating solid state organic synthesis from a mixer mill to a continuous twin screw extruder. Green Chemistry 20 (19), pp.4443-4447. (10.1039/C8GC02036A)
Cao, Q. et al. 2018. Mechanochemical activation of zinc and application to Negishi cross-coupling. Angewandte Chemie International Edition 57 (35), pp.11339-11343. (10.1002/anie.201806480)
Carboni, S. et al., 2018. New variations on the theme of gold(III) C^N^N cyclometalated complexes as anticancer agents: Synthesis and biological characterization. Inorganic Chemistry (10.1021/acs.inorgchem.8b02604)
Carpenter, B. K. et al. 2018. Dynamics on the double morse potential: a paradigm for roaming reactions with no saddle points. Regular and Chaotic Dynamics 23 (1), pp.60-79. (10.1134/S1560354718010069)
Carter, J. H. and Hutchings, G. J. 2018. Recent advances in the gold-catalysed low-temperature water-gas shift reaction. Catalysts 8 (12), pp.627-627. (10.3390/catal8120627)
Casini, A. 2018. Medicinal chemistry of gold anticancer metallodrugs. In: Sigel, A. et al., Metallo-Drugs: Development and Action of Anticancer Agents. Vol. 18, Metal Ions in Life Sciences Walter de Gruyter GmbH. , pp.199-217.
Casini, A. , Bonsignore, R. and Oberkofler, J. 2018. Organometallic gold-based anticancer therapeutics. In: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Elsevier. , pp.1-10. (10.1016/B978-0-12-409547-2.14350-1)
Catlow, C. R. 2018. The structural science of functional materials. IUCrJ 5 (1), pp.1-3. (10.1107/S2052252517018474)
Catlow, C. R. A. and Logsdail, A. 2018. Computational investigation of CO adsorbed on Aux, Agx and (AuAg)x nanoclusters (x = 1-5, 147) and monometallic Au and Ag low-energy surfaces. European Physical Journal B 91 32. (10.1140/epjb/e2017-80280-7)
Cattaneo, S. 2018. Towards the continuous production of supported metal nanoparticles and their application in hydrogenation reactions. PhD Thesis , Cardiff University.
Cattaneo, S. et al. 2018. Cinnamaldehyde hydrogenation using Au-Pd catalysts prepared by sol immobilisation. Catalysis Science and Technology 8 , pp.1677-1685. (10.1039/C7CY02556D)
Cerrato, E. et al. 2018. Rare earth ions doped ZnO: synthesis, characterization and preliminary photoactivity assessment. Journal of Solid State Chemistry 264 , pp.42-47. (10.1016/j.jssc.2018.05.001)
Cerrato, E. et al. 2018. Origin of visible light photoactivity of the CeO2/ZnO heterojunction. ACS Applied Energy Materials 1 (8), pp.4247-4260. (10.1021/acsaem.8b00887)
Cerreia Vioglio, P. et al., 2018. Insights into the crystallization and structural evolution of glycine dihydrate by in situ solid-state NMR spectroscopy. Angewandte Chemie International Edition 57 (22), pp.6619-6623. (10.1002/anie.201801114)
Chaffey, D. R. et al., 2018. Etherification reactions of furfuryl alcohol in the presence of orthoesters and ketals: application to the synthesis of furfuryl ether biofuels. ACS Sustainable Chemistry & Engineering 6 (4), pp.4996-5002. (10.1021/acssuschemeng.7b04636)
Cheruiyot, D. et al., 2018. Genotypic responses of brachiaria grass (brachiaria spp.) accessions to drought stress. Journal of Agronomy 17 (3), pp.136-146. (10.3923/ja.2018.136.146)
Cheruiyot, D. et al., 2018. Genotypic response of brachiaria (Urochloa spp.) to spider mite (Oligonychus trichardti ) (Acari: Tetranychidae) and adaptability to different environments. Field Crops Research 225 , pp.163-169. (10.1016/j.fcr.2018.06.011)
Cheruiyot, D. et al., 2018. Suitability of brachiaria grass as a trap crop for management of Chilo partellus. Entomologia Experimentalis et Applicata 166 (2), pp.139-148. (10.1111/eea.12651)
Chi Fru, E. et al. 2018. Sedimentary mechanisms of a modern banded iron formation on Milos Island, Greece. Solid Earth 8 (10.5194/se-2017-113)
Chi Fru, E. et al. 2018. Sedimentary mechanisms of a modern banded iron formation on Milos Island, Greece. Solid Earth 9 (3), pp.573-598. (10.5194/se-9-573-2018)
Choudhuri, K. et al., 2018. S−H⋅⋅⋅π Driven Anti-Markovnikov Thiol-Yne Click Reaction. Asian Journal of Organic Chemistry 7 (9), pp.1849-1855. (10.1002/ajoc.201800381)
Chow, Y. K. 2018. Continuous gas phase methane oxidation using nitrous oxide over Fe-based zeolite. PhD Thesis , Cardiff University.
Chow, Y. K. et al. 2018. A kinetic study of methane partial oxidation over FeZSM-5 using N2O as an oxidant. ChemPhysChem 19 (4), pp.402-411. (10.1002/cphc.201701202)
Chow, Y. K. et al. 2018. Investigating the influence of acid sites in continuous methane oxidation with N2O over Fe/MFI zeolites. Catalysis Science and Technology 2018 (8), pp.154-163. (10.1039/C7CY01769C)
Christofidou, K. et al., 2018. On the influence of Mn on the phase stability of the CrMnxFeCoNi high entropy alloys. Intermetallics 92 , pp.84-92. (10.1016/j.intermet.2017.09.011)
Chu, J. et al., 2018. Axial reinforcement of unidirectional composites by self-aligned graphene. Presented at: 18th European Conference on Composite Materials (ECCM 2018) Athens, Greece 24-28 June 2018. Proceedings of 18th European Conference on Composite Materials. Applied Mechanics Laboratory
Chu, J. et al., 2018. Realizing the theoretical stiffness of graphene in composites through confinement between carbon fibers. Composites Part A: Applied Science and Manufacturing 113 , pp.311-317. (10.1016/j.compositesa.2018.07.032)
Chutia, A. , Willock, D. J. and Catlow, C. R. A. 2018. The electronic properties of Au clusters on CeO2(110) surface with and without O-defects. Faraday Discussions 208 , pp.123-145. (10.1039/C8FD00002F)
Collier, T. et al., 2018. Effect on the mechanical properties of type I collagen of intra-molecular lysine-arginine derived advanced glycation end-product cross-linking. Journal of Biomechanics 67 , pp.55-61. (10.1016/j.jbiomech.2017.11.021)
Compagnoni, M. et al. 2018. Surface probing by spectroscopy on titania-supported gold nanoparticles for a photoreductive application. Catalysts 8 (12), pp.623-623. (10.3390/catal8120623)
Constantin, A. et al., 2018. Using persona as lenses for a reference model. Presented at: HCI '18 32nd International BCS Human Computer Interaction Conference Belfast, UK 4-6 July 2018. HCI '18 Proceedings of the 32nd International BCS Human Computer Interaction Conference. ACM Digital Library: BCS Learning & Development Ltd., Swindon, UK(10.14236/ewic/HCI2018.138)
Cosgrave, S. 2018. Effect of organic co-solvents on the NMR chemical shifts and dynamics of dihydrofolate reductase from E. coli. MPhil Thesis , Cardiff University.
Couzi, M. , Guillaume, F. and Harris, K. D. M. 2018. A phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds. Royal Society Open Science 5 (6), pp.-. 180058. (10.1098/rsos.180058)
Craco, L. et al., 2018. Site-selective electronic structure of pure and doped Ca2 O3 Fe3 S2. Physical Review B 98 (4), pp.-. 045130. (10.1103/PhysRevB.98.045130)
Craco, L. and Leoni, S. 2018. Microscopic description of localization-delocalization transitions in BaFe2S3. Physical Review B 98 (19), pp.-. 195107. (10.1103/PhysRevB.98.195107)
Craco, L. et al., 2018. Kondo-semimetal to Fermi-liquid phase crossover in black phosphorus to pressure-induced orbital-nematic gray phosphorus. Physical Review B 98 (3), pp.-. 035114. (10.1103/PhysRevB.98.035114)
Curran, C. D. et al., 2018. Ambient temperature aqueous synthesis of ultrasmall copper doped ceria nanocrystals for the water gas shift and carbon monoxide oxidation reactions. Journal of Materials Chemistry A 6 (1), pp.244-255. (10.1039/C7TA07665G)
D'Agostino, C. et al., 2018. Product inhibition in the glycerol oxidation over Au/TiO2 catalyst quantified by NMR relaxation. ACS Catalysis 8 (8), pp.7334-7339. (10.1021/acscatal.8b01516)
Damoyi, N. E. et al., 2018. A DFT mechanistic study of the ODH of n -hexane over isolated H 3 VO 4. Molecular Catalysis 452 , pp.83-92. (10.1016/j.mcat.2018.03.019)
Davies, C. et al. 2018. Simultaneous removal of NOx and soot particulate from diesel exhaust by in-situ catalytic generation and utilisation of N2O. Applied Catalysis B: Environmental 239 , pp.10-15. (10.1016/j.apcatb.2018.07.072)
Davies, D. et al. 2018. Dominant effect of support wettability on the reaction pathway for Catalytic Wet Air Oxidation over Pt and Ru nano-particle catalysts. ACS Catalysis (10.1021/acscatal.7b04039)
Davies, T. E. , Taylor, S. H. and Graham, A. E. 2018. Nanoporous aluminosilicate-catalyzed telescoped acetalization-direct aldol reactions of acetals with 1,3-dicarbonyl compounds. ACS Omega 3 (11), pp.15482-15491. (10.1021/acsomega.8b02047)
De Cesare, V. et al., 2018. The MALDI-TOF E2/E3 ligase assay as universal tool for drug discovery in the ubiquitin pathway. Cell Chemical Biology 25 (9), pp.1117-1127. e4. (10.1016/j.chembiol.2018.06.004)
Decarolis, D. et al. 2018. Effect of particle size and support type on Pd catalysts for 1,3-butadiene hydrogenation. Topics in Catalysis 61 (3-4), pp.162-174. (10.1007/s11244-018-0887-4)
Di Maria, F. et al., 2018. Controlling the functional properties of oligothiophene crystalline nano/microfibers via tailoring of the self-assembling molecular precursors. Advanced Functional Materials 28 (32) 1801946. (10.1002/adfm.201801946)
Dimitratos, N. and Villa, A. 2018. Metal-free functionalized carbons in catalysis: synthesis, characterization and applications. Royal Society of Chemistry.
Diwate, K. et al., 2018. Chemical spray pyrolysis synthesis of covellite copper sulphide (CuS) thin films for economical counter electrode for DSSCs. Journal of Materials Science: Materials in Electronics 29 (6), pp.4940-4947. (10.1007/s10854-017-8453-6)
Dixon, T. 2018. Catalytic exhaust gas reforming of hydrocarbon fuels. PhD Thesis , Cardiff University.
Dodekatos, G. et al., 2018. Glycerol oxidation using MgO and Al2O3 supported gold and gold-palladium nanoparticles prepared in the absence of polymer stabilisers. ChemCatChem 10 (6), pp.1351-1359. (10.1002/cctc.201800074)
Donovan-Sheppard, O. 2018. Electrochemical and shell-isolated nanoparticle enhanced Raman spectroscopy (SHINERS) approaches to probing novel catalytic nanomaterials. PhD Thesis , Cardiff University.
Du, J. et al., 2018. Monoclinic paracetamol vs. paracetamol-4,4'-bipyridine co-crystal; what is the difference? a charge density study. Crystals 8 (1), pp.-. 46. (10.3390/cryst8010046)
Du, J. J. et al., 2018. Exploring the binding of barbital to a synthetic macrocyclic receptor. A charge density study. Journal of Physical Chemistry A 122 (11), pp.3031-3044. (10.1021/acs.jpca.7b11674)
Du, J. J. et al., 2018. Using electron density to predict synthon formation in a 4-hydroxybenzoic acid : 4,4'-bipyridine co-crystal. Crystal Growth and Design 18 (3), pp.1786-1798. (10.1021/acs.cgd.7b01676)
Dumon, A. S. et al., 2018. Direct n-octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by “spectator” ammonia adsorbates. Catalysis Science and Technology 8 (2), pp.611-621. (10.1039/C7CY02208E)
Dürüst, Y. et al., 2018. Some reactions of 2-(4-substitutedphenyl)-2-(N-methyl-N-4-substitutedbenzamido) acetic acids. Synthetic Communications 48 (17), pp.2206-2220. (10.1080/00397911.2018.1489966)
Dzade, N. and De Leeuw, N. H. 2018. Adsorption and desulfurization mechanism of thiophene on layered FeS (001), (011) and (111) surfaces: A DFT-D2 study. Journal of Physical Chemistry C 122 (1), pp.359-370. (10.1021/acs.jpcc.7b08711)
Dzade, N. Y. and de Leeuw, N. H. 2018. Density functional theory characterization of the structures of H3AsO3 and H3AsO4 adsorption complexes on ferrihydrite. Environmental Science: Processes and Impacts 20 (6), pp.977-987. (10.1039/C7EM00608J)
Easun, T. L. and Nevin, A. C. 2018. Metal nodes and metal sites in metal-organic frameworks. In: Patmore, N. J. and Elliott, P. I. P. eds. Organometallic Chemistry: Volume 42. Vol. 42, SPR - Organometallic Chemistry , pp.54-79. (10.1039/9781788010672-00054)
Edwards, P. G. et al. 2018. Halide and substituent dependent structural variation in copper(I) halide complexes of 1,5,9-triphosphacyclododecanes. Dalton Transactions 47 (45), pp.16126-16131. (10.1039/C8DT03072C)
El-Hiti, G. A. et al., 2018. 2-({6-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]imidazo[2,1-b]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate. IUCrData 3 (1)(10.1107/S2414314618000871)
El-Hiti, G. A. et al., 2018. 5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1H-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate. IUCrData 3 (10)(10.1107/S2414314618013780)
El-Hiti, G. A. et al., 2018. 5-Methyl-1-(4-methylphenyl)-N′-[1-(1H-pyrrol-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide monohydrate. IUCrData 3 (8), pp.-. (10.1107/S2414314618011628)
El-Hiti, G. A. et al., 2018. 5-Methyl-1-(4-methylphenyl)-N?-[1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide. IUCrData 3 (10)(10.1107/S2414314618013792)
El-Hiti, G. A. et al., 2018. (E)-1-(4-Bromophenyl)-3-[3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one. IUCrData 3 (1)(10.1107/S241431461800069X)
El-Hiti, G. A. et al., 2018. (E)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]acrylonitrile. IUCrData 3 (1)(10.1107/S2414314618001712)
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