Publications
Explore our articles, books, reports and papers written by experts in their field.
Recent publications
- Abis, L. et al. 2020. Plasmonic oxidation of glycerol using Au/TiO2 catalysts prepared by sol-immobilisation. Catalysis Letters 150 (1), pp.49-55. (10.1007/s10562-019-02952-y)
- Adesina, A. S. et al. 2020. Electric field measurements reveal the pivotal role of Cofactor-Substrate interaction in dihydrofolate reductase catalysis. ACS Catalysis (10.1021/acscatal.0c01856)
- Alotaibi, A. A. et al., 2020. The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S. Zeitschrift für Kristallographie - New Crystal Structures 235 (4), pp.897-899. (10.1515/ncrs-2020-0088)
- Alotaibi, A. A. et al., 2020. The crystal structure of 5-(2-(4-fluorophenyl)hydrazono)-4-methyl-2-((3-(5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) hydrazono)-2,5-dihydrothiazole dimethylformamide monosolvate, C30H25FN10S?C3H7NO. Zeitschrift für Kristallographie - New Crystal Structures 235 (4), pp.915-917. (10.1515/ncrs-2020-0101)
- Alotibi, M. F. et al., 2020. Crystal structure of (E)-3-(3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)-1-phenylprop-2-en-1-one, C27H21N5O. Zeitschrift für Kristallographie - New Crystal Structures 235 (2), pp.479-481. (10.1515/ncrs-2019-0779)
- Alotibi, M. F. et al., 2020. Crystal structure of 3-(2-(5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one, C28H20FN3O2S. Zeitschrift für Kristallographie - New Crystal Structures 235 (2), pp.469-471. (10.1515/ncrs-2019-0776)
- Alshammari, N. and Platts, J. A. 2020. Theoretical study of copper binding to GHK peptide. Computational Biology and Chemistry 86 107265. (10.1016/j.compbiolchem.2020.107265)
- Amakali, T. et al., 2020. Structural and optical properties of ZnO thin films prepared by molecular precursor and sol-gel methods. Crystals 10 (2), pp.-. 132. (10.3390/cryst10020132)
- Amri, N. and Wirth, T. 2020. Automated electrochemical selenenylations. Synthesis 52 (12), pp.1751-1761. (10.1055/s-0039-1690868)
- Aparicio, P. A. and De Leeuw, N. . H. 2020. Electronic structure, ion diffusion and cation doping in the Na4VO(PO4)2 compound as a cathode material for Na-ion batteries. Physical Chemistry Chemical Physics 22 (12), pp.6653-6659. (10.1039/C9CP05559B)
- Aprà, E. et al., 2020. NWChem: Past, present, and future. Journal of Chemical Physics 152 (18) 184102. (10.1063/5.0004997)
- Asghar, A. et al., 2020. Ethylenediamine loading into a manganese-based metal-organic framework enhances water stability and carbon dioxide uptake of the framework. Royal Society Open Science 7 (3) 191934. (10.1098/rsos.191934)
- Baer, D. R. et al., 2020. XPS guide: Charge neutralization and binding energy referencing for insulating samples. Journal of Vacuum Science and Technology A 38 (3) 31204. (10.1116/6.0000057)
- Baragau, I. et al., 2020. Continuous hydrothermal flow synthesis of blue-luminescent, excitation-independent nitrogen-doped carbon quantum dots as nanosensors. Journal of Materials Chemistry A 8 (6), pp.3270-3279. (10.1039/C9TA11781D)
- Basak, S. et al. 2020. B(C6F5)3-catalyzed direct C3 alkylation of indoles and oxindoles. ACS Catalysis 10 (8), pp.4835-4840. (10.1021/acscatal.0c01141)
- Baviskar, P. K. et al., 2020. ZnO/CuSCN nano-heterostructure as a highly efficient field emitter: a combined experimental and theoretical investigation. ACS Omega 5 (12), pp.6715-6724. (10.1021/acsomega.0c00006)
- Bemmer, V. et al., 2020. Rationalization of the X-ray photoelectron spectroscopy of aluminium phosphates synthesized from different precursors. RSC Advances 10 (14), pp.84448452. (10.1039/C9RA08738A)
- Biot, N. and Bonifazi, D. 2020. Chalcogen-bond driven molecular recognition at work. Coordination Chemistry Reviews 413 213243. (10.1016/j.ccr.2020.213243)
- Biot, N. and Bonifazi, D. 2020. Concurring Chalcogen- and halogen-bonding interactions in supramolecular polymers for crystal engineering applications. Chemistry - A European Journal 26 (13), pp.2904-2913. (10.1002/chem.201904762)
- Bonsignore, R. et al. 2020. Carbon-Phosphorus coupling from C^N cyclometalated Au(III) complexes. Chemistry - A European Journal 26 (19), pp.4226-4231. (10.1002/chem.201905392)
- Bouleghlimat, E. , Bethell, D. and Davies, P. R. 2020. The photocatalytic destruction of cinnamic acid and cinnamyl alcohol: mechanism and the effect of aqueous ions. Chemosphere 251 126469. (10.1016/j.chemosphere.2020.126469)
- Bowker, M. and Jones, W. 2020. Methanol photo-reforming with water on pure titania for hydrogen production. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences (10.1098/rsta.2020.0058)
- Bowker, M. et al. 2020. Al-doped Fe2O3 as a support for molybdenum oxide methanol oxidation catalysts. Physical Chemistry Chemical Physics (10.1039/D0CP01192D)
- Brekalo, I. et al., 2020. Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks. Chemical Science 11 (8), pp.2141-2147. (10.1039/C9SC05514B)
- Cai, R. et al., 2020. Gas-phase deposition of gold nanoclusters to produce heterogeneous glycerol oxidation catalysts. ACS Applied Nano Materials (10.1021/acsanm.0c01140)
- Campisi, S. et al., 2020. DFT-assisted spectroscopic studies on the coordination of small ligands to palladium: from isolated ions to nanoparticles. Journal of Physical Chemistry C 124 (8), pp.4781-4790. (10.1021/acs.jpcc.9b09791)
- Carden, J. L. , Dasgupta, A. and Melen, R. L. 2020. Halogenated triarylboranes: synthesis, properties and applications in catalysis. Chemical Society Reviews 49 (6), pp.1706-1725. (10.1039/C9CS00769E)
- Caswell, T. et al. 2020. Enhancement in the rate of nitrate degradation on Au- and Ag-decorated TiO2 photocatalysts. Catalysis Science and Technology 10 (7), pp.2083-2091. (10.1039/C9CY02473E)
- Catlow, C. R. et al. 2020. Science to enable the circular economy. Philosophical Transactions A (10.1098/rsta.2020.0060)
- Cattaneo, S. et al. 2020. Continuous flow synthesis of bimetallic AuPd catalysts for the selective oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid. ChemNanoMat 6 (3), pp.420-426. (10.1002/cnma.201900704)
- Charles, B. et al., 2020. Phase behavior and substitution limit of mixed cesium-formamidinium lead triiodide perovskites. Chemistry of Materials 32 (6), pp.2282-2291. (10.1021/acs.chemmater.9b04032)
- Chutia, A. et al., 2020. A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface. Physical Chemistry Chemical Physics 22 (6), pp.3620-3632. (10.1039/C9CP05476F)
- Cooper, A. et al. 2020. Influence of the preparation method of Ag-K/CeO2-ZrO2-Al2O3 catalysts on their structure and activity for the simultaneous removal of soot and NOx. Catalysts 10 (3), pp.-. 294. (10.3390/catal10030294)
- Craco, L. and Leoni, S. 2020. Pressure-induced orbital-selective metal from the Mott insulator BaFe2Se3. Physical Review B 101 (24) 245133. (10.1103/PhysRevB.101.245133)
- Cresser-Brown, J. et al. 2020. An unexpected co-crystal structure of the calpain PEF(S) domain with Hfq reveals a potential chaperone function of Hfq. Acta Crystallographica Section F: Structural Biology Communications 76 (2), pp.81-85. (10.1107/S2053230X20001181)
- Crole, D. A. et al. 2020. The direct synthesis of hydrogen peroxide from H2 and O2 using Pd-Ni/TiO2 catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) 20200062. (10.1098/rsta.2020.0062)
- Crombie, C. M. et al. 2020. The influence of reaction conditions on the oxidation of cyclohexane via the in-situ production of H2O2. Catalysis Letters (10.1007/s10562-020-03281-1)
- Cross, R. W. and Dzade, N. Y. 2020. First-principles mechanistic insights into the hydrogen evolution reaction on Ni2P electrocatalyst in alkaline medium. Catalysts 10 (3) 307. (10.3390/catal10030307)
- Cuenca, J. A. et al. 2020. Dielectric spectroscopy of hydrogen treated hexagonal boron nitride ceramics. ACS Applied Electronic Materials 2 (5), pp.1193-1202. (10.1021/acsaelm.9b00767)
- Dasgupta, A. et al. 2020. Triarylborane catalysed alkenylation reaction of aryl esters with diazo-compounds. Angewandte Chemie International Edition (10.1002/anie.202007176)
- Davies, P. R. and Morgan, D. J. 2020. Practical guide for x-ray photoelectron spectroscopy: applications to the study of catalysts. Journal of Vacuum Science and Technology A 38 (3) 33204. (10.1116/1.5140747)
- Day, A. H. et al. 2020. Towards dual SPECT/optical bioimaging with a mitochondrial targeting, 99mTc(i) radiolabelled 1,8-naphthalimide conjugate. Dalton Transactions 49 (2), pp.511-523. (10.1039/C9DT04024B)
- Day, A. H. et al. 2020. Targeted cell imaging properties of a deep red luminescent iridium(III) complex conjugated with a c-Myc signal peptide. Chemical Science 11 (6), pp.1599-1606. (10.1039/C9SC05568A)
- Delarmelina, M. et al. 2020. Hetero-Diels–Alder reactions of quinone methides: the origin of the α-regioselectivity of 3-methylene-1,2,4-naphthotriones. Journal of Organic Chemistry (10.1021/acs.joc.0c00215)
- Delarmelina, M. , Quesne, M. G. and Catlow, C. R. A. 2020. Modelling the bulk properties of ambient pressure polymorphs of zirconia. Physical Chemistry Chemical Physics 22 (12), pp.6660-6676. (10.1039/D0CP00032A)
- Dervin, D. et al., 2020. Probing the dynamics and structure of confined benzene in MCM-41 based catalysts. Physical Chemistry Chemical Physics 22 (20), pp.11485-11489. (10.1039/D0CP01196G)
- Devlia, J. et al., 2020. The formation of methanol from glycerol bio-waste over doped ceria based catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences (10.1098/rsta.2020.0059)
- Dlamini, M. W. et al. 2020. Post doped nitrogen-decorated hollow carbon spheres as a support for Co Fischer-Tropsch catalysts. Catalysis Today 342 , pp.99-110. (10.1016/j.cattod.2019.01.070)
- Dordevic, L. et al. 2020. O-doped nanographenes: the pyrano/pyrylium route towards semiconducting cationic mixed valence complexes. Angewandte Chemie International Edition 59 (10), pp.4106-4114. (10.1002/anie.201914025)
- Dosso, J. et al. 2020. Boron-nitrogen-doped nanographenes: a synthetic tale from borazine precursors. Chemistry - A European Journal 26 (29), pp.6608-6621. (10.1002/chem.201905794)
- Douthwaite, M. et al. 2020. Glycerol selective oxidation to lactic acid over AuPt nanoparticles; enhancing reaction selectivity and understanding by support modification. ChemCatChem 12 (11), pp.3097-3107. (10.1002/cctc.202000026)
- Dzade, N. Y. 2020. First-principles insights into the interface chemistry between 4-Aminothiophenol and Zinc Phosphide (Zn3P2) nanoparticles. ACS Omega 5 (2)(10.1021/acsomega.9b02736)
- Dzade, N. Y. 2020. Unravelling the early oxidation mechanism of zinc phosphide (Zn3P2) surfaces by adsorbed oxygen and water: a first-principles DFT-D3 investigation. Physical Chemistry Chemical Physics 22 (3)(10.1039/C9CP03902C)
- Eberlein, L. et al., 2020. Tautomeric equilibria of nucleobases in the hachimoji expanded genetic alphabet. Journal of Chemical Theory and Computation 16 (4), pp.2766-2777. (10.1021/acs.jctc.9b01079)
- Edgar, R. J. et al., 2020. Inhibition of the photochromic behaviour of a 3,3-diphenyl-3H-pyrano[3,2-f]quinoline ligand by coordination to Ag(I) ions. Dyes and Pigments 175 108167. (10.1016/j.dyepig.2019.108167)
- Eissa, N. et al. 2020. EJP18 peptide derived from the juxtamembrane domain of epidermal growth factor receptor represents a novel membrane-active cell-penetrating peptide. Biochemical Journal 477 (1), pp.45-60. (10.1042/BCJ20190452)
- El-Betany, A. M. et al. 2020. Auto-fluorescent PAMAM-based dendritic molecules and their potential application in pharmaceutical sciences. International Journal of Pharmaceutics 579 119187. (10.1016/j.ijpharm.2020.119187)
- Elliott, M. C. 2020. How to succeed in organic chemistry. Oxford: Oxford University Press.
- Elsherbini, M. et al. 2020. Selective hydroboration - oxidation of terminal alkenes under flow conditions. Chemistry - A European Journal (10.1002/chem.202001650)
- Engel, J. et al. 2020. The influence of oxygen vacancy position and Ce3+ ion localisation on the properties of small gold clusters supported on CeO2-x(111). Journal of Materials Chemistry A (10.1039/D0TA01398F)
- Evans, A. et al., 2020. Optimisation of Cu+ impregnation of MOF-74 to improve CO/N2 and CO/CO2 separations. RSC Advances 10 (9), pp.5152-5162. (10.1039/C9RA10115B)
- Evans, C. D. et al. 2020. Enhancing the understanding of the glycerol to lactic acid reaction mechanism over AuPt/TiO2 under alkaline conditions. Journal of Chemical Physics 152 (13) 134705. (10.1063/1.5128595)
- Eya, H. I. , Ntsoenzok, E. and Dzade, N. Y. 2020. First-principles investigation of the structural, elastic, electronic, and optical properties of α– and β–SrZrS3: implications for photovoltaic applications. Materials 13 (4) 978. (10.3390/ma13040978)
- Farkaš, B. and de Leeuw, N. H. 2020. Towards a morphology of cobalt nanoparticles: size and strain effects. Nanotechnology 31 (19) 195711. (10.1088/1361-6528/ab6fe0)
- Farkas, B. , Terranova, U. and de Leeuw, N. H. 2020. Binding modes of carboxylic acids on cobalt nanoparticles. Physical Chemistry Chemical Physics 22 (3)(10.1039/C9CP04485J)
- Faulkner, C. et al. 2020. Atomistic molecular dynamics simulations of propofol and fentanyl in phosphatidylcholine lipid bilayers. ACS Omega 5 (24), pp.14340-14353. (10.1021/acsomega.0c00813)
- Folli, A. et al. 2020. A novel dual mode X-band EPR resonator for rapid in situ microwave heating. Journal of Magnetic Resonance 310 106644. (10.1016/j.jmr.2019.106644)
- Freeman, E. et al. 2020. PrFeO 3 photocathodes prepared through spray pyrolysis. ChemElectroChem 7 (6), pp.1365-1372. (10.1002/celc.201902005)
- Fresta, E. et al., 2020. Origin of the exclusive ternary electroluminescent behavior of BN-doped nanographenes in efficient single-component white light-emitting electrochemical cells. Advanced Functional Materials 1906830. (10.1002/adfm.201906830)
- Fresta, E. et al., 2020. Revealing the impact of heat generation using nanographene-based light-emitting electrochemical cells. ACS Applied Materials and Interfaces (10.1021/acsami.0c06783)
- Galstyan, A. et al., 2020. π‐Extended Donor–Acceptor Porphyrins and Metalloporphyrins for Antimicrobial Photodynamic Inactivation. Chemistry - A European Journal 26 (37), pp.8262-8266. (10.1002/chem.201905372)
- Gao, S. et al., 2020. Uncovering the chemistry of C–C bond formation in C-nucleoside biosynthesis: crystal structure of a C-glycoside synthase/PRPP complex. Chemical Communications (10.1039/D0CC02834G)
- García, T. et al., 2020. Insights into the production of upgraded biofuels using Mg-loaded mesoporous ZSM-5 zeolites. ChemCatChem (10.1002/cctc.202000787)
- Gazis, T. et al. 2020. 1,3-Carboboration of iodonium ylides. Chemical Communications 56 , pp.3345-3348. (10.1039/C9CC08749D)
- Gong, X. et al. 2020. Enhanced catalyst selectivity in the direct synthesis of H2O2 through Pt incorporation into TiO2 supported AuPd catalysts. Catalysis Science and Technology (10.1039/D0CY01079K)
- Greenaway, A. G. et al., 2020. Detection of key transient Cu intermediates in SSZ-13 during NH3-SCR deNOx by modulation excitation IR spectroscopy. Chemical Science 11 (2), pp.447-455. (10.1039/C9SC04905C)
- Guadix-Montero, S. et al. 2020. Effect of support acidity during selective hydrogenolysis of glycerol over supported palladium-ruthenium catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) 20200055. (10.1098/rsta.2020.0055)
- Hardacre, C. et al., 2020. Synchrotron radiation and catalytic science. Synchrotron Radiation News 33 (1), pp.10-14. (10.1080/08940886.2020.1701368)
- Harding, L. P. et al., 2020. A rhenium(I) complex which reacts with aldehydes and ketones in aqueous media: a structural, spectroscopic and theoretical analysis. JOURNAL OF CHEMICAL RESEARCH (10.1177/1747519820917888)
- Higham, M. , Quesne, M. G. and Catlow, C. R. A. 2020. Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces. Dalton Transactions 49 (25), pp.8478–8497. (10.1039/D0DT00754D)
- Hokamp, T. 2020. New Chiral Iodine(III) reagents for stereoselective synthesis. PhD Thesis , Cardiff University.
- Islam, H. et al., 2020. Understanding the role of zinc dithiocarbamate complexes as single source precursors to ZnS nanomaterials. Nanoscale Advances 2 (2), pp.798-807. (10.1039/C9NA00665F)
- Jiao, Y. et al., 2020. The effect of T-atom ratio and TPAOH concentration on the pore structure and titanium position in MFI-Type titanosilicate during dissolution-recrystallization process. Microporous and Mesoporous Materials 305 110397. (10.1016/j.micromeso.2020.110397)
- Johnson, L. A. et al. 2020. Modular chemoenzymatic synthesis of terpenes and their analogues. Angewandte Chemie International Edition 59 (22), pp.8486-8490. (10.1002/anie.202001744)
- Ju, Q. et al., 2020. Ruthenium triazine composite: a good match for increasing hydrogen evolution activity through contact electrification. Advanced Energy Materials 10 (21) 2000067. (10.1002/aenm.202000067)
- Kamble, M. M. et al., 2020. Optical, structural and morphological study of CdS nanoparticles: Role of sulphur source. Nanomaterials and Energy 9 (1)(10.1680/jnaen.19.00041)
- Kennedy-Britten, O. , Al Shammari, N. and Platts, J. A. 2020. Molecular Dynamics Simulations of Copper Binding to N-terminus Mutants of Amyloid-β. Journal of Biomolecular Structure and Dynamics (10.1080/07391102.2020.1745692)
- Khidre, R. E. et al., 2020. Facile, mild and efficient synthesis of azines using phosphonic dihydrazide. Phosphorus, Sulfur, and Silicon and the Related Elements 195 (1), pp.29-36. (10.1080/10426507.2019.1633531)
- Kreplin, D. A. , Knowles, P. J. and Werner, H. 2020. MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules. Journal of Chemical Physics 152 (7) 74102. (10.1063/1.5142241)
- Lawrence, J. et al., 2020. Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding. Nature Communications 11 2103. (10.1038/s41467-020-15898-2)
- Ledendecker, M. et al., 2020. Isolated Pd sites as selective catalysts for electrochemical and direct hydrogen peroxide synthesis. ACS Catalysis 10 (10), pp.5928-5938. (10.1021/acscatal.0c01305)
- Li, X. et al., 2020. Investigations of supported Au-Pd nanoparticles on synthesized CeO2 with different morphologies and application in solvent-free benzyl alcohol oxidation. Applied Surface Science 505 144473. (10.1016/j.apsusc.2019.144473)
- Liu, S. et al., 2020. Probing composition distributions in nanoalloy catalysts with correlative electron microscopy. Journal of Materials Chemistry A (10.1039/D0TA00334D)
- Lloyd, D. et al. 2020. Functional imaging of a model unicell: Spironucleus vortens as an anaerobic but aerotolerant flagellated protist. Advances in Microbial Physiology 76 , pp.41-79. (10.1016/bs.ampbs.2020.01.002)
- Longo, M. et al., 2020. Correlating gas permeability and Young's modulus during the physical aging of polymers of intrinsic microporosity using atomic force microscopy. Industrial & Engineering Chemistry Research 59 (12), pp.5381-5381. (10.1021/acs.iecr.9b04881)
- Lu, X. et al. 2020. Mechanistic study of hydrazine decomposition on Ir(111). Physical Chemistry Chemical Physics 22 (7), pp.3883-3896. (10.1039/C9CP06525C)
- Malta, G. et al. 2020. Can gold be an effective catalyst for the Deacon reaction?. Catalysis Letters (10.1007/s10562-020-03204-0)
- Malta, G. et al. 2020. In situ K-edge X-ray absorption spectroscopy of the ligand environment of single-site Au/C catalysts during acetylene hydrochlorination. Chemical Science (10.1039/D0SC02152K)
- Mandlik, N. T. et al., 2020. Thermoluminescence, photoluminescence and optically stimulated luminescence characteristics of CaSO4:Eu phosphor: experimental and density functional theory (DFT) investigations. Journal of Luminescence 221 117051. (10.1016/j.jlumin.2020.117051)
- Matam, S. K. et al. 2020. Methanol loading dependent methoxylation in zeolite H-ZSM-5. Chemical Science (10.1039/D0SC01924K)
- McVicker, R. et al. 2020. Low temperature selective oxidation of methane using gold-palladium colloids. Catalysis Today 342 , pp.32-38. (10.1016/j.cattod.2018.12.017)
- Meenakshisundaram, S. et al. 2020. Role of the support in gold-containing nanoparticles as heterogeneous catalysts. Chemical Reviews 120 (8), pp.3890-3938. (10.1021/acs.chemrev.9b00662)
- Meier-Menches, S. M. et al. 2020. Comparative biological evaluation and G-quadruplex interaction studies of two new families of organometallic gold(I) complexes featuring N-heterocyclic carbene and alkynyl ligands. Journal of Inorganic Biochemistry 202 110844. (10.1016/j.jinorgbio.2019.110844)
- Mills, E. M. et al. 2020. Applying switchable Cas9 variants to in vivo gene editing for therapeutic applications. Cell Biology and Toxicology 36 , pp.17-29. (10.1007/s10565-019-09488-2)
- Mistry, K. et al., 2020. Transition metal cooperative Lewis pairs using platinum(0) piphosphine Mmonocarbonyl complexes as Lewis bases. Organometallics 39 (3), pp.468-477. (10.1021/acs.organomet.9b00568)
- Mohamed, H. A. et al., 2020. Convenient synthesis of new heterocycles containing quinoxaline ring system. Letters in Organic Chemistry 17 (2), pp.121-126. (10.2174/1570178616666190311161505)
- Mohamed, H. A. et al., 2020. Synthesis of novel heterocycles using 1,2,3‐triazole‐4‐carbohydrazides as precursors. Journal of Heterocyclic Chemistry 57 (3), pp.1055-1062. (10.1002/jhet.3840)
- Mordovina, U. et al., 2020. Polaritonic coupled-cluster theory. Physical Review Research 2 (2) 23262. (10.1103/PhysRevResearch.2.023262)
- Morteo Flores, F. , Engel, J. and Roldan Martinez, A. 2020. Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) 20200056. (10.1098/rsta.2020.0056)
- Mutter, S. T. et al. 2020. Molecular dynamics simulations of copper binding to amyloid-β Glu22 mutants. Heliyon 6 (1) e03071. (10.1016/j.heliyon.2019.e03071)
- Nicholson, W. I. et al. 2020. N-Heterocyclic carbene acyl anion organocatalysis by ball-milling. ChemSusChem 13 (1), pp.131-135. (10.1002/cssc.201902346)
- Nödling, A. et al. 2020. Cyanine dye mediated mitochondrial targeting enhances the anti-cancer activity of small-molecule cargoes. Chemical Communications 56 (34), pp.4672-4675. (10.1039/C9CC07931A)
- Nödling, A. R. et al. 2020. Enabling protein-hosted organocatalytic transformations. RSC Advances 10 (27), pp.16147-16161. (10.1039/D0RA01526A)
- O'Malley, A. J. et al. 2020. Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts. Faraday Discussions 188 , pp.235-255. (10.1039/C6FD00010J)
- Oberkofler, J. et al. 2020. Exploring the reactivity and biological effects of heteroleptic N-Heterocyclic carbene gold(I)-Alkynyl complexes. European Journal of Inorganic Chemistry 2020 (11-12), pp.1040-1051. (10.1002/ejic.201901043)
- Olsson, E. et al., 2020. Combined density functional theory and molecular dynamics study of Sm0.75A0.25Co1-xMnxO2.88 (A = Ca, Sr; x = 0.125, 0.25) cathode material for next generation solid oxide fuel cell. Physical Chemistry Chemical Physics 22 (2), pp.692-699. (10.1039/C9CP04892H)
- Ouaray, Z. et al. 2020. Building better enzymes: molecular basis of improved non-natural nucleobase incorporation by an evolved DNA polymerase. Protein Science 29 (2)(10.1002/pro.3762)
- Ould, D. 2020. Synthesis, structure and reactivity of phosphorus and arsenic heterocycles. PhD Thesis , Cardiff University.
- Ould, D. and Melen, R. 2020. Diazaphospholene and diazaarsolene derived homogeneous catalysis. Chemistry - A European Journal (10.1002/chem.202001734)
- Parker, L. A. et al. 2020. Ammonia decomposition enhancement by Cs-Promoted Fe/Al2O3 catalysts. Catalysis Letters (10.1007/s10562-020-03247-3)
- Pezzetta, C. 2020. Development of novel synthetic methodologies in photocatalysis. PhD Thesis , Cardiff University.
- Platts, J. A. 2020. Quantum chemical molecular dynamics and metadynamics simulation of aluminium binding to amyloid-β and related peptides. Royal Society Open Science 7 (2) 191562. (10.1098/rsos.191562)
- Platts, J. A. and Baker, R. J. 2020. A computational investigation of orbital overlap versus energy degeneracy covalency in [UE2]2+ (E = O, S, Se, Te) complexes. Dalton Transactions 49 (4)(10.1039/C9DT04484A)
- Prado, A. , González-Rodríguez, D. and Wu, Y. 2020. Functional systems derived from nucleobase self-assembly. ChemistryOpen 9 (4), pp.409-430. (10.1002/open.201900363)
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