School of Chemistry

2017 publications

Abis, L. et al. 2017. Highly active gold and gold-palladium catalysts prepared by colloidal methods in the absence of polymer stabilizers. ChemCatChem 9 (15), pp.2914-2918. (10.1002/cctc.201700483)
Adedigba, A. et al. 2017. On the synthesis and performance of hierarchical nanoporous TS-1 catalysts. Microporous and Mesoporous Materials 244 , pp.83-92. (10.1016/j.micromeso.2017.02.048)
Adjimi, S. et al., 2017. Highly efficient and stable Ru/K-OMS-2 catalyst for NO oxidation. Applied Catalysis B: Environmental 219 , pp.459-466. (10.1016/j.apcatb.2017.07.044)
Agarwal, N. et al. 2017. Aqueous Au-Pd colloids catalyze selective CH4 oxidation to CH3OH with O2 under mild conditions. Science 358 (6360), pp.223-227. (10.1126/science.aan6515)
Ahmed, T. et al., 2017. Combining nano-physical and computational investigations to understand the nature of “aging” in dermal collagen. International Journal of Nanomedicine 2017 (12), pp.3303-3314. (10.2147/IJN.S121400)
Al-Azzawi, A. 2017. The interactions of optoelectronically active molecules and complexes with (bio) macromolecules for applications in biosensors and directed assembly. PhD Thesis , Cardiff University.
Al-Nayili, A. 2017. Novel Lewis acidic zeolites as heterogeneous catalysts for liquid phase chemistry. PhD Thesis , Cardiff University.
Al-Rifai, N. et al., 2017. Deactivation behaviour of supported gold palladium nanoalloy catalysts during the selective oxidation of benzyl alcohol in a micro-packed bed reactor. Industrial & Engineering Chemistry Research 56 (45), pp.12984-12993. (10.1021/acs.iecr.7b01159)
Alaboosh, J. 2017. Synthesis of nucleic acid-binding ligands. PhD Thesis , Cardiff University.
Albilali, R. K. et al., 2017. The selective hydrogenation of furfural over supported palladium nanoparticle catalysts prepared by sol-immobilisation: effect of catalyst support and reaction conditions. Catalysis Science and Technology 2018 (8), pp.252-267. (10.1039/C7CY02110K)
Albilali, R. and Dimitratos, N. 2017. Transfer dehydrogenation of 1-Phenylethanol over Pd/C under mild conditions: effect of reaction conditions and optimization of catalytic performance. Catalysis Letters 147 (9), pp.2372-2384. (10.1007/s10562-017-2140-3)
Aldmairi, A. H. et al., 2017. Piperidines from acid-catalysed cyclisations: Pitfalls, solutions and a new ring contraction to pyrrolidines. Tetrahedron Letters 58 (38), pp.3690-3694. (10.1016/j.tetlet.2017.07.058)
Aldmairi, A. H. , Knight, D. and Wirth, T. 2017. Acid-catalyzed tandem process for the one-pot synthesis of oxazolidines. Synlett 28 (20), pp.2976-2978. (10.1055/s-0036-1591513)
Alsaiari, R. 2017. Effects of reaction conditions on the conversion of epoxides to cyclic carbonates through CO2 inclusion. PhD Thesis , Cardiff University.
Alsaiari, R. et al. 2017. The effect of ring size on the selective carboxylation of cycloalkene oxides. Catalysis Science & Technology 2017 (6), pp.1433-1439. (10.1039/C6CY02448C)
Alshammari, M. B. et al. 2017. Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2. Zeitschrift für Kristallographie - New Crystal Structures 232 (1), pp.101-104. (10.1515/ncrs-2016-0170)
Amoroso, A. J. , Fallis, I. A. and Pope, S. J. A. 2017. Chelating agents for radiolanthanides: applications to imaging and therapy. Coordination Chemistry Reviews 340 , pp.198-219. (10.1016/j.ccr.2017.01.010)
Angelastro, A. 2017. Chemoenzymatic synthesis of isotopically labelled folates. PhD Thesis , Cardiff University.
Angelastro, A. et al. 2017. A versatile disulfide-driven recycling system for NADP+ with high cofactor turnover number. ACS Catalysis 7 (2), pp.1025-1029. (10.1021/acscatal.6b03061)
Angelastro, A. et al. 2017. Chemoenzymatic assembly of isotopically labeled folates. Journal of the American Chemical Society 139 (37), pp.13047-13054. (10.1021/jacs.7b06358)
Antonangelo, A. R. et al., 2017. A porphyrin-based microporous network polymer that acts as an efficient catalyst for cyclooctene and cyclohexane oxidation under mild conditions. Catalysis Communications 99 , pp.100. (10.1016/j.catcom.2017.05.024)
Antonangelo, A. R. et al., 2017. Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins. RSC Advances 7 (80), pp.50610-50618. (10.1039/C7RA08734A)
Aparicio-Anglès, X. and De Leeuw, N. H. 2017. Modeling of complex interfaces: Gadolinium-doped ceria in contact with yttria-stabilized zirconia. Journal of the American Ceramic Society 100 (7), pp.3329-3339. (10.1111/jace.14858)
Aradottir, G. et al., 2017. Searching for wheat resistance to aphids and wheat bulb fly in the historical Watkins and Gediflux wheat collections. Annals of Applied Biology 170 (2), pp.179-188. (10.1111/aab.12326)
Armstrong, R. et al. 2017. How to synthesise high purity, crystalline D-glucaric acid selectively. European Journal of Organic Chemistry 2017 (45), pp.6811-6814. (10.1002/ejoc.201701343)
Arora, M. et al. 2017. Polymorphic adaptation. Presented at: 17th International Conference, CAAD Futures 2017 Istanbul 12-14 July 2017. Published in: Çağdaş, G. et al., Future Trajectories of Computation in Design. Istanbul: Istanbul Technical University. , pp.474-491.
Arvanitidis, A. G. et al. 2017. The quantization of theE ⊗ e Jahn–Teller Hamiltonian. Journal of Physical Chemistry A 121 (38), pp.7246-7524. (10.1021/acs.jpca.7b06136)
Athar, M. et al., 2017. Structural investigation of Vinca Domain Tubulin Binders by pharmacophore, atom based QSAR, docking and molecular dynamics simulations. Combinatorial Chemistry and High Throughput Screening 20 (8), pp.682-695. (10.2174/1386207320666170509151253)
Attard, G. A. et al. 2017. The voltammetry of surfaces vicinal to Pt{110}: structural complexity simplified by CO cooling. Journal of Electroanalytical Chemistry 793 , pp.137-146. (10.1016/j.jelechem.2016.10.005)
Ayres, J. et al. 2017. Deoxycyanamidation of alcohols with N-Cyano-N-phenyl-p-methylbenzenesulfonamide (NCTS). Organic Letters 19 (14), pp.3835-3838. (10.1021/acs.orglett.7b01710)
Bahili, M. 2017. Synthesis of polyesters by ring opening polymerization and copolymerization using aluminium and titanium complexes. PhD Thesis , Cardiff University.
Bahruji, H. , Guan, S. and Puthiyapura, V. K. 2017. Precious metal catalysts for sustainable energy and environmental remediation. In: Hutchings, G. et al., Modern Developments in Catalysis. World Scientific Publishing. , pp.211-251. (10.1142/9781786341228_0007)
Bahruji, H. et al. 2017. PdZn catalysts for CO2 hydrogenation to methanol using chemical vapour impregnation (CVI). Faraday Discussions 197 , pp.309-324. (10.1039/C6FD00189K)
Balakit, A. A. et al., 2017. Synthesis, vibrational spectra, and DFT simulations of 3-bromo-2-methyl-5-(4-nitrophenyl)thiophene. Journal of Applied Spectroscopy 84 (5), pp.888-899. (10.1007/s10812-017-0561-9)
Belz, T. et al., 2017. An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-α-mannanase inhibitor. Chemical Communications 53 , pp.9238-9241. (10.1039/C7CC04977C)
Bhatt, J. S. et al., 2017. Quantum and statistical mechanical simulations for porous catalyst modelling. In: Hutchings, G. J. et al., Modern Developments in Catalysis. World Scientific Publishing. , pp.253-288. (10.1142/9781786341228_0008)
Biggs, C. I. et al., 2017. Impact of sequential surface-modification of graphene oxide on ice nucleation. Physical Chemistry Chemical Physics 19 (33), pp.21929-21932. (10.1039/C7CP03219F)
Biswas, S. et al., 2017. Structural variability of 4f and 5f thiocyanate complexes and dissociation of uranium(III)‒ thiocyanate bonds with increased ionicity. Inorganic Chemistry 56 (23), pp.14426-14437. (10.1021/acs.inorgchem.7b01560)
Black, J. 2017. Development and applications of Quasi-Variational Coupled-Cluster theory. PhD Thesis , Cardiff University.
Blackaby, W. J. M. et al., 2017. Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh3)Br]. Dalton Transactions 47 (3), pp.769-782. (10.1039/C7DT04187J)
Blackburn, G. M. et al., 2017. How to name atoms in phosphates, polyphosphates, their derivatives and mimics, and transition state analogues for enzyme-catalysed phosphoryl transfer reactions (IUPAC Recommendations 2016). Pure and Applied Chemistry 89 (5), pp.653-675. (10.1515/pac-2016-0202)
Blackburn, G. M. et al., 2017. Metal fluorides as analogs for studies on phosphoryl transfer enzymes. Angewandte Chemie 129 (15), pp.4172-4192. (10.1002/ange.201606474)
Boateng, I. W. et al., 2017. A DFT+U investigation of hydrogen adsorption on the LaFeO3 (010) surface. Physical Chemistry Chemical Physics 2017 (10), pp.7399-7409. (10.1039/C6CP08698E)
Boggio-Pasqua, M. , López Vidal, M. and Garavelli, M. 2017. Theoretical mechanistic study of self-sensitized photo-oxygenation and singlet oxygen thermal release in a dimethyldihydropyrene derivative. Journal of Photochemistry and Photobiology A: Chemistry 333 , pp.156-164. (10.1016/j.jphotochem.2016.10.020)
Bonello, R. O. et al., 2017. Synthesis and characterisation of phosphorescent rhenium(I) complexes of hydroxy- and methoxy-substituted imidazo[4,5- f ]-1,10-phenanthroline ligands. Journal of Organometallic Chemistry 841 , pp.39-47. (10.1016/j.jorganchem.2017.04.021)
Bonifazi, D. 2017. Versatile self-adapting boronic acids for H-bond recognition: from discrete to polymeric supramolecules. Journal of the American Chemical Society 139 (7), pp.2710-2727. (10.1021/jacs.6b11362)
Boorsma, C. E. et al., 2017. A potent tartrate resistant acid phosphatase inhibitor to study the function of TRAP in alveolar macrophages. Scientific Reports 7 (1) 12570. (10.1038/s41598-017-12623-w)
Bosch-Navarro, C. et al., 2017. Non-covalent functionalization of graphene with a hydrophilic self-limiting monolayer for macro-molecule immobilization. FlatChem 1 , pp.52-56. (10.1016/j.flatc.2016.11.001)
Bosica, G. and Polidano, K. 2017. Solvent-free Henry and Michael reactions with nitroalkanes promoted by potassium carbonate as a versatile heterogeneous catalyst. Journal of Chemistry 2017 6267036. (10.1155/2017/6267036)
Bouleghlimat, E. 2017. Materials for the photocatalytic treatment of recalcitrant organic waste. PhD Thesis , Cardiff University.
Bouleghlimat, A. et al., 2017. Halide-enhanced catalytic activity of palladium nanoparticles comes at the expense of catalyst recovery. Catalysts 7 (9) 280. (10.3390/catal7090280)
Brown, K. E. et al., 2017. Tracking hole transport in DNA hairpins using a phenylethynylguanine nucleobase. Journal of the American Chemical Society 139 (34), pp.12084-12092. (10.1021/jacs.7b06998)
Brown, K. E. et al., 2017. Fluorescent excimers and exciplexes of the purine base derivative 8-phenylethynyl-guanine in DNA hairpins. Faraday Discussions 207 , pp.217-232. (10.1039/C7FD00186J)
Browne, D. L. , Howard, J. L. and Schotten, C. 2017. Continuous flow processing as a tool for medicinal chemical synthesis. In: Comprehensive Medicinal Chemistry III. Elsevier. , pp.135-185. (10.1016/B978-0-12-409547-2.12288-7)
Bryant, M. J. et al., 2017. A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor. Nature Communications 8 1800. (10.1038/s41467-017-01941-2)
Bugler, K. 2017. The catalytic oxidative dehydrogenation of n-octane over iron and other metal molybdates. PhD Thesis , Cardiff University.
Burnett, T. L. et al., 2017. Degradation of metallic materials studied by correlative tomography. IOP Conference Series: Materials Science and Engineering 219 (1) 12001. (10.1088/1757-899X/219/1/012001)
Buurma, N. J. 2017. Aggregation and reactivity in aqueous solutions of cationic surfactants and aromatic anions across concentration scales. Current Opinion in Colloid & Interface Science 32 , pp.69-75. (10.1016/j.cocis.2017.10.005)
Buurma, N. J. 2017. π-conjugated DNA binders. In: Stulz, E. and Clever, G. H. eds. Supramolecular Chemistry and Nanotechnology. Wiley. , pp.ch1.2. (10.1002/9781118696880.ch1.2)
Cadi-Essadek, A. , Roldan Martinez, A. and De Leeuw, N. 2017. Density functional theory study of Ni clusters supported on the ZrO2 (111) surface. Fuel Cells 17 (2), pp.125-131. (10.1002/fuce.201600044)
Cao, T. et al., 2017. Selective electrogenerative oxidation of 5-hydroxymethylfurfural to 2,5-furandialdehyde. ChemSusChem 10 (24), pp.4851-4854. (10.1002/cssc.201702119)
Cao, E. et al., 2017. A micropacked-bed multi-reactor system with in situ raman analysis for catalyst evaluation. Catalysis Today 283 , pp.195-201. (10.1016/j.cattod.2016.06.007)
Cao, T. et al., 2017. Investigation of the interactions between methylene blue and intramolecular G-quadruplexes: an explicit distinction in electrochemical behavior. Analyst 2017 (142), pp.987-993. (10.1039/C7AN00083A)
Cao, Y. et al. 2017. An investigation into bimetallic catalysts for base free oxidation of cellobiose and glucose. Journal of Chemical Technology and Biotechnology 92 (9), pp.2246-2253. (10.1002/jctb.5287)
Carpenter, B. K. et al. 2017. Empirical classification of trajectory data: An opportunity for the use of machine learning in molecular dynamics. Journal of Physical Chemistry B 122 (13), pp.3230. (10.1021/acs.jpcb.7b08707)
Carta, M. et al. 2017. Polymers of Intrinsic Microporosity derived from a carbocyclic analogue of Tröger's base. Polymer 126 , pp.324-329. (10.1016/j.polymer.2017.03.037)
Carter, K. P. et al., 2017. Exploring the promotion of synthons of choice: halogen bonding in molecular lanthanide complexes characterized via X-ray diffraction, luminescence spectroscopy, and magnetic measurements. Zeitschrift für ganische und allgemeine Chemie 643 (23), pp.1948-1955. (10.1002/zaac.201700341)
Casini, A. et al. 2017. Anticancer gold N-heterocyclic carbene complexes: a comparative in vitro and ex vivo study. ChemMedchem 12 (17), pp.1429-1435. (10.1002/cmdc.201700316)
Casini, A. and Melgert Barbro, N. 2017. Gold(III) compounds as tartrate resistant acid phosphatase inhibitors, and therapeutic uses thereof. WO2017058012 (A1) [Patent]
Casini, A. et al. 2017. The interaction of metal compounds with protein targets: new tools in medicinal chemistry and chemical biology. In: Encyclopedia of Inorganic and Bioinorganic Chemistry. Wiley(10.1002/9781119951438)
Casini, A. , Orvig, C. and Correia, J. D. G. 2017. Frontiers in radionuclide imaging and therapy, a chemical journey from naturally radioactive elements to targeted theranostic agents. Dalton Transactions 46 , pp.14433-14434. (10.1039/C7DT90181J)
Casini, A. , Woods, B. and Wenzel, M. 2017. The promise of self-assembled 3D supramolecular coordination complexes for biomedical applications. Inorganic Chemistry 56 (24), pp.14715-14729. (10.1021/acs.inorgchem.7b02599)
Caswell, T. 2017. Photocatalytic nitrate reduction under solar-simulated light using modified TiO2. PhD Thesis , Cardiff University.
Catlow, C. R. A. , van Santen, R. A. and Van Speybroeck, V. 2017. Preface. In: Catlow, C. R. A. , Van Speybroeck, V. and Van Santen, R. A. eds. Modelling and Simulation in the Science of Micro- and Meso-Porous Materials. Elsevier. , pp.xiii. (10.1016/B978-0-12-805057-6.00013-2)
Catlow, C. R. 2017. Modelling and simulation in the science of micro- and meso-porous materials. Elsevier.
Catlow, C. R. 2017. Peer reviewers need more nurturing. Nature 552 (7685), pp.293-293. (10.1038/d41586-017-08289-z)
Catlow, C. R. 2017. Developments in the structural science of materials. IUCrJ 4 (3), pp.199-201. (10.1107/S2052252517006145)
Celorrio, V. et al., 2017. Tellurium-doped lanthanum manganite as catalysts for the oxygen reduction reaction. MRS Communications 7 (2), pp.193-198. (10.1557/mrc.2017.22)
Cerrato, E. et al. 2017. Photoactivity properties of ZnO doped with cerium ions: an EPR study. Journal of Physics: Condensed Matter 29 (44) 444001. (10.1088/1361-648X/aa88f7)
Chan-Thaw, C. et al., 2017. Enhanced activity of Au/NiO nanohybrids for the reductive amination of benzyl alcohol. Materials 10 (12) 1435. (10.3390/ma10121435)
Charalampopoulos, V. G. , Kariuki, B. and Harris, K. D. M. 2017. Complexes of Thiourea with alkali metal bromides and iodides: Structural properties, mixed-halide and mixed-metal materials, and halide exchange processes. Crystal Growth and Design 17 (2), pp.786-793. (10.1021/acs.cgd.6b01644)
Chhantyal-Pun, R. et al., 2017. Temperature-dependence of the rates of reaction of trifluoroacetic acid with criegee intermediates. Angewandte Chemie - International Edition 56 (31), pp.9044-9047. (10.1002/anie.201703700)
Christie, J. K. and De Leeuw, N. 2017. Effect of strontium inclusion on the bioactivity of phosphate-based glasses. Journal of Materials Science 52 (15), pp.9014-9022. (10.1007/s10853-017-1155-x)
Christie, J. K. et al., 2017. Structures and properties of phosphate-based bioactive glasses from computer simulation: a review. Journal of Materials Chemistry B 5 (27), pp.5297-5306. (10.1039/C7TB01236E)
Chutia, A. et al., 2017. The adsorption of Cu on the CeO2(110) surface. Physical Chemistry Chemical Physics 19 (40), pp.27191-27203. (10.1039/C7CP04144F)
Clark, N. , Shaw, G. and Porch, A. 2017. Effect of surface stresses on microwave surface resistance and its impact for cavity perturbation measurements. IEEE Microwave and Wireless Components Letters 27 (10), pp.939-941. (10.1109/LMWC.2017.2745486)
Constantinides, C. P. et al., 2017. Effects of Halo-substitution on 2'-Chloro-5'-halo-phenyl-1,2,3,5-dithiadiazolyl Radicals: A Crystallographic, Magnetic and EPR Case Study. Crystal Growth and Design 17 (6), pp.3017-3029. (10.1021/acs.cgd.6b01700)
Cooper, B. et al., 2017. Quantum chemistry in dataflow: Density-fitting MP2. Journal of Chemical Theory and Computation 13 (11), pp.5265-5272. (10.1021/acs.jctc.7b00649)
Cortese, R. et al., 2017. Graph-based analysis of ethylene glycol decomposition on a palladium cluster. Journal of Physical Chemistry C 121 (25), pp.13606-13616. (10.1021/acs.jpcc.7b00850)
Craco, L. , Faria, J. L. B. and Leoni, S. 2017. Electronic reconstruction of hexagonal FeS: a view from density functional dynamical mean-field theory. Materials Research Express 4 (3) 36303. (10.1088/2053-1591/aa6296)
Craco, L. , Pereira, T. A. d. S. and Leoni, S. 2017. Electronic structure and thermoelectric transport of black phosphorus. Physical Review B 96 (7) 75118. (10.1103/PhysRevB.96.075118)
Craco, L. , Laad, M. S. and Leoni, S. 2017. Microscopic description of insulator-metal transition in high-pressure oxygen. Scientific Reports 7 2632. (10.1038/s41598-017-02730-z)
Craco, L. and Leoni, S. 2017. Selective orbital reconstruction in tetragonal FeS: A density functional dynamical mean-field theory study. Scientific Reports 7 46439. (10.1038/srep46439)
Crole, D. A. 2017. The direct synthesis of hydrogen peroxide in water at ambient temperature: A study of reaction conditions, catalyst design and implementation. PhD Thesis , Cardiff University.
Cudré, Y. et al., 2017. Tris-heteroleptic iridium complexes based on cyclometalated ligands with different cores. Inorganic Chemistry -American Chemical Society- 56 (19), pp.11565-11576. (10.1021/acs.inorgchem.7b01307)
Curran, C. D. et al., 2017. Direct single-enzyme biomineralization of catalytically active ceria and ceria-zirconia nanocrystals. ACS Nano 11 (3), pp.3337-3346. (10.1021/acsnano.7b00696)
D'Agostino, C. et al., 2017. Increased affinity of small gold particles for glycerol oxidation over Au/TiO2 probed by NMR relaxation methods. ACS Catalysis 7 (7), pp.4235-4241. (10.1021/acscatal.7b01255)
Da Vià, L. et al., 2017. Visible light selective photocatalytic conversion of glucose by TiO2. Applied Catalysis B: Environmental 202 , pp.281-288. (10.1016/j.apcatb.2016.08.035)
Damoyi, N. et al., 2017. Density functional theory studies of the uncatalysed gas-phase oxidative dehydrogenation conversion of n -hexane to hexenes. Computational and Theoretical Chemistry 1114 , pp.153-164. (10.1016/j.comptc.2017.05.026)
Dann, E. K. et al., 2017. Combined in situ XAFS/DRIFTS studies of the evolution of nanoparticle structures from molecular precursors. Chemistry of Materials 29 (17), pp.7515-7523. (10.1021/acs.chemmater.7b02552)
Davies, C. , Kondrat, S. A. and Miedziak, P. J. 2017. Precious metals for environmental catalysis: Gold. In: Hutchings, G. et al., Modern Developments in Catalysis. World Scientific Publishing. , pp.181-209. (10.1142/9781786341228_0006)
Davies, S. 2017. Catalysis by gold. PhD Thesis , Cardiff University.
De Almeida, A. et al. 2017. The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods. Chemical Communications 53 (27), pp.3830-3833. (10.1039/C7CC00318H)
de Boer, J. G. et al., 2017. Odours of Plasmodium falciparum-infected participants influence mosquito-host interactions. Scientific Reports 7 9283. (10.1038/s41598-017-08978-9)
De Keyser, R. et al., 2017. Insecticidal effects of deltamethrin in laboratory and field populations of Culicoides species: how effective are host-contact reduction methods in India?. Parasites & Vectors 10 54. (10.1186/s13071-017-1992-0)
De Leo, F. et al., 2017. Unfolding IGDQ peptides for engineering motogenic interfaces. Langmuir 33 (30), pp.7512-7528. (10.1021/acs.langmuir.6b04381)
de Oliveira Filho, J. G. et al., 2017. Brown dog tick, Rhipicephalus sanguineus sensu lato, infestation of susceptible dog hosts is reduced by slow release of semiochemicals from a less susceptible host. Ticks and Tick-borne Diseases 8 (1), pp.139-145. (10.1016/j.ttbdis.2016.10.010)
Delarmelina, M. , Greco, S. J. and Carneiro, J. W. d. M. 2017. Single step mechanism for nucleophilic substitution of 2,3-dichloro naphthoquinone using nitrogen, oxygen and sulfur nucleophiles: A DFT approach. Tetrahedron 73 (30), pp.4363 - 4370. (10.1016/j.tet.2017.05.095)
Delarmelina, M. et al. 2017. Mechanism of the catalytic Carboxylation of alkylboronates with CO2 using Ni−NHC complexes: a DFT study. Chemistry - A European Journal 23 (59), pp.14954-14961. (10.1002/chem.201703567)
Demiray, M. et al. 2017. An efficient chemoenzymatic synthesis of dihydroartemisinic aldehyde. Angewandte Chemie International Edition 56 (15), pp.4347-4350. (10.1002/anie.201609557)
Demiray, M. et al. 2017. Effiziente chemoenzymatische Synthese von dhydroartemisinaldehyd. Angewandte Chemie 129 (15), pp.4411-4415. (10.1002/ange.201609557)
Di Tommaso, D. et al., 2017. Molecular dynamics simulations of hydroxyapatite nanopores in contact with electrolyte solutions: the effect of nanoconfinement and solvated ions on the surface reactivity and the structural, dynamical, and vibrational properties of water. Crystals 7 (2) 57. (10.3390/cryst7020057)
Diwate, K. et al., 2017. Synthesis and characterization of chemical spray [yrolysed CZTS thin films for solar cell applications. Energy Procedia 110 , pp.180-187. (10.1016/j.egypro.2017.03.125)
Dosso, J. et al. 2017. Synthesis and optoelectronic properties of hexa-peri -hexabenzoborazinocoronene. Angewandte Chemie 129 (16), pp.4554-4558. (10.1002/ange.201700907)
Dosso, J. et al. 2017. Synthesis and optoelectronic properties of hexa-peri -hexabenzoborazinocoronene. Angewandte Chemie International Edition 56 (16), pp.4483-4487. (10.1002/anie.201700907)
Douthwaite, M. et al. 2017. The controlled catalytic oxidation of furfural to furoic acid using AuPd/Mg(OH)2. Catalysis Science & Technology 7 (22), pp.5284-5293. (10.1039/C7CY01025G)
Duro-Castano, A. et al., 2017. Capturing "extraordinary" soft-assembled charge-like polypeptides as a strategy for nanocarrier design. Advanced Materials 29 (39) 1702888. (10.1002/adma.201702888)
Dürüst, Y. et al., 2017. Novel sydnone derivatives carrying azidomethyl-1,2, 4-oxadiazole unit and their 1,3-dipolar cycloadditions. Synthetic Communications 47 (7), pp.660-670. (10.1080/00397911.2017.1279630)
Dzade, N. Y. and de Leeuw, N. . H. 2017. Periodic DFT+U investigation of the bulk and surface properties of marcasite (FeS2). Physical Chemistry Chemical Physics 19 (40), pp.27478-27488. (10.1039/C7CP04413E)
Dzade, N. Y. , Roldan Martinez, A. and De Leeuw, N. H. 2017. Structures and properties of As(OH)3 adsorption complexes on hydrated mackinawite (FeS) surfaces: A DFT-D2 study. Environmental Science & Technology 51 (6), pp.3461-3470. (10.1021/acs.est.7b00107)
El-Hiti, G. A. et al., 2017. 1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]ethanone. IUCrData 2 (12)(10.1107/S2414314617017825)
El-Hiti, G. A. et al., 2017. Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate. IUCrData 2 (12)(10.1107/S241431461701820X)
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