Journal Article

Aaronson, Barak D. B., Byers, Joshua C., Colburn, Alex W., McKelvey, Kim M. (Kim Martin) and Unwin, Patrick R. (2015) Scanning electrochemical cell microscopy platform for ultrasensitive photoelectrochemical imaging. Analytical Chemistry, 87 (8). pp. 4129-4133. doi:10.1021/acs.analchem.5b00288

Aaronson, Barak D. B., Chen, Chang-Hui, Li, Hongjiao, Koper, Marc T. M., Lai, Stanley Chi Shing and Unwin, Patrick R. (2013) Pseudo-single crystal electrochemistry on polycrystalline electrodes : visualizing activity at grains and grain boundaries on platinum for the Fe2+/Fe3+ redox reaction. Journal of the American Chemical Society, Volume 135 (Number 10). pp. 3873-3880. doi:10.1021/ja310632k

Aaronson, Barak D. B., Lai, Stanley Chi Shing and Unwin, Patrick R. (2014) Spatially resolved electrochemistry in ionic liquids : surface structure effects on triiodide reduction at platinum electrodes. Langmuir, Volume 30 (Number 7). pp. 1915-1919. doi:10.1021/la500271f

Abbas, Syeda, Rees, Gregory J., Kelly, Nicole L., Dancer, Claire E. J., Hanna, John V. and McNally, Tony (2018) Facile silane functionalization of graphene oxide. Nanoscale, 10 (34). 16231-16242 . doi:10.1039/C8NR04781B

Ablitt, Chris, Mostofi, Arash A., Bristowe, Nicholas C. and Senn, Mark S. (2018) Control of uniaxial negative thermal expansion in layered perovskites by tuning layer thickness. Frontiers in Chemistry, 6 . 455. doi:10.3389/fchem.2018.00455

Abou Neel, Ensanya A., Chrzanowski, Wojciech, Valappil, Sabeel P., O'Dell, L. A., Pickup, David M., Smith, Mark E., Newport, Robert J. and Knowles, Jonathan C. (2009) Doping of a high calcium oxide metaphosphate glass with titanium dioxide. Journal of Non-Crystalline Solids, Vol.355 (No.16-17). pp. 991-1000. doi:10.1016/j.jnoncrysol.2009.04.016

Abrams, William R., Madsen, Jens, Gaiha, Gaurav D., Palaniyar, Nades, Dong, Tao, Mitchell, Daniel A. and Clark, Howard W. (2013) Surfactant protein D modulates HIV infection of both T-cells and dendritic cells. PLoS One, Volume 8 (Number 3). Article no. e59047. doi:10.1371/journal.pone.0059047

Abuhammad, Areej, Fullam, Elizabeth, Bhakta, Sanjib, Russell, Angela, Morris, Garrett, Finn, Paul and Sim, Edith (2014) Exploration of piperidinols as potential antitubercular agents. Molecules, Volume 19 (Number 10). pp. 16274-16290. doi:10.3390/molecules191016274

Adobes Vidal, Maria, Maddar, Faduma, Momotenko, Dmitry, Hughes, Leslie P., Wren, Stephen A. C., Poloni, Laura N., Ward, Michael D. and Unwin, Patrick R. (2016) Face-discriminating dissolution kinetics of furosemide single crystals : in situ three-dimensional multi-microscopy and modeling. Crystal Growth & Design, 16 (8). pp. 4421-4429. doi:10.1021/acs.cgd.6b00543

Al-Amin, Mohammad and Murphy, John D. (2017) Combining low-temperature gettering with phosphorus diffusion gettering for improved multicrystalline silicon. IEEE Journal of Photovoltaics, 7 (6). 1519 -1527. doi:10.1109/JPHOTOV.2017.2741100

Alberti, Fabrizio, Leng, Daniel J., Wilkening, Ina, Song, Lijiang, Tosin, Manuela and Corre, Christophe (2019) Triggering the expression of a silent gene cluster from genetically intractable bacteria results in scleric acid discovery. Chemical Science, 10 (2). pp. 453-463. doi:10.1039/C8SC03814G

Alborzpour, Jonathan, Tew, David P. and Habershon, Scott (2016) Efficient and accurate evaluation of potential energy matrix elements for quantum dynamics using Gaussian process regression. Journal of Chemical Physics, 145 (17). 174112. doi:10.1063/1.4964902

Aldegunde, Manuel, Kermode, James R. and Zabaras , Nicholas (2016) Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory. Journal of Computational Physics, 311 . pp. 173-195. doi:10.1016/j.jcp.2016.01.034

Alguel, Y., Cameron, Alexander, Diallinas, G. and Byrne, B. (2016) Transporter oligomerization : form and function. Biochemical Society Transactions, 44 (6). pp. 1737-1744. doi:10.1042/BST20160217

Alkhalaf, Lona M., Barry, Sarah M., Rea, Dean, Gallo, Angelo, Griffiths, Daniel, Lewandowski, Józef R., Fülöp, Vilmos and Challis, Gregory L. (2018) Binding of distinct substrate conformations enables hydroxylation of remote sties in thaxtomin D by cytochrome P450 TxtC. Journal of the American Chemical Society . doi:10.1021/jacs.8b08864 (In Press)

Allen, M. P. and Humpert, Anja (2015) Propagating director bend fluctuations in nematic liquid crystals. Physical Review Letters, 114 (2). 028301. doi:10.1103/PhysRevLett.114.028301

Allen, M. P., Quigley, David and Růžička, Štěpán (2012) Folding kinetics of a polymer. Physical Chemistry Chemical Physics, Volume 2012 (Number 14). pp. 6044-6053. doi:10.1039/c2cp00051b

Allen, Stuart C. H., Moore, Katherine A. H., Marsden, Catherine J., Fülöp, Vilmos, Moffat, Kevin G., Lord, Mike, Ladds, Graham and Roberts, L. M. (Lynne M.) (2007) The isolation and characterisation of temperature-dependent Ricin A chain molecules in Saccharomyces cerevisiae. FEBS Journal, Vol.274 (No.21). pp. 5586-5599. doi:10.1111/j.1742-4658.2007.06080.x

Alsubaie, Fehaid, Liarou, Evelina, Nikolaou, Vasiliki, Wilson, Paul and Haddleton, David M. (2019) Thermoresponsive viscosity of polyacrylamide block copolymers synthesised via aqueous Cu-RDRP. European Polymer Journal . doi:10.1016/j.eurpolymj.2019.02.045 (In Press)

Alzahrani, Khalid and Deeth, Robert J. (2016) Density functional calculations reveal a flexible version of the copper paddlewheel unit : implications for metal organic frameworks. Dalton Transactions, 45 . pp. 11944-11948. doi:10.1039/c6dt01474g

Alzahrani, Khalid and Deeth, Robert J. (2016) Molecular modeling of zinc paddlewheel molecular complexes and the pores of a flexible metal organic framework. Journal of Molecular Modeling, 22 (4). 80. doi:10.1007/s00894-016-2949-5

Amar, Ibrahim A., Lan, Rong, Humphreys, John and Tao, Shanwen (2017) Electrochemical synthesis of ammonia from wet nitrogen via a dual-chamber reactor using La0.6Sr0.4Co0.2Fe0.8O3 − δCe0.8Gd0.18Ca0.02O2 − δ composite cathode. Catalysis Today, 286 . pp. 51-56. doi:10.1016/j.cattod.2016.09.006

Ambrosio, Francesco and Troisi, Alessandro (2014) Singlet fission in linear chains of molecules. The Journal of Chemical Physics, 141 (20). 204703. doi:10.1063/1.4902135

Amel, Hoda, Rongong, Jem, Moztarzadeh, Hadi and Hopkinson, Neil (2016) Effect of section thickness on fatigue performance of laser sintered Nylon 12. Polymer Testing, 53 . pp. 204-210. doi:10.1016/j.polymertesting.2016.05.027

Amietszajew, Tazdin, Sridhar, Seetharaman and Bhagat, Rohit (2016) Metal recovery by electrodeposition from a molten salt two-phase cell system. Journal of The Electrochemical Society, 163 (9). D515-D521. doi:10.1149/2.0991609jes

Amietszajew, Tazdin, Sridhar, Seetharaman and Bhagat, Rohit (2015) The solubility of specific metal oxides in molten borate glass. Journal of the American Ceramic Society, 98 (10). pp. 2984-2987. doi:10.1111/jace.13801

Amin, Munia, Porter, Steven L. and Soyer, Orkun S. (2013) Split histidine kinases enable ultrasensitivity and bistability in two-component signaling networks. PLoS Computational Biology, Volume 9 (Number 3). Article no. e1002949. doi:10.1371/journal.pcbi.1002949

Anderson, Zoe J. and Fox, David J. (2015) Total synthesis of the azolemycins. Organic and Biomolecular Chemistry, 2016 (4). pp. 1450-1454.

Anderson, Zoe J., Hobson, Christian, Needley, Rebecca, Song, Lijiang, Perryman, Michael S., Kerby, Paul D. and Fox, David J. (2017) NMR-based assignment of isoleucine vs allo-isoleucine stereochemistry. Organic & Biomolecular Chemistry, 15 (44). 9372-9378 . doi:10.1039/C7OB01995E

Andrew, Rhiann and Chaplin, Adrian B. (2014) Synthesis, structure and dynamics of NHC-based palladium macrocycles. Dalton Transactions, Volume 43 (Number). pp. 1413-1423. doi:10.1039/c3dt52578c

Andrew, Rhiann, Storey, Caroline M. and Chaplin, Adrian B. (2016) Well-defined coinage metal transfer agents for the synthesis of NHC-based nickel, rhodium and palladium macrocycles. Dalton Transactions, 45 (21). pp. 8937-8944. doi:10.1039/c6dt01263a

Ansari, N., Dandekar, R., Caravati, S., Sosso, Gabriele C. and Hassanali, A. (2018) High and low density patches in simulated liquid water. The Journal of Chemical Physics, 149 (20). 204507. doi:10.1063/1.5053559

Apps, Samantha L., Alflatt, Rhiannon E., Leforestier, Baptiste, Storey, Caroline M. and Chaplin, Adrian B. (2018) Divergent stereoisomers of molybdenum carbonyl complexes of NHC-based pincer ligands. Polyhedron, 143 . pp. 57-61. doi:10.1016/j.poly.2017.08.001

Arter, William E., Charmet, Jérôme, Kong, Jinglin, Saar, Kadi L., Herling, Therese W., Müller, Thomas, Keyser, Ulrich F. and Knowles, Tuomas P. J. (2018) Combining affinity selection and specific ion mobility for microchip protein sensing. Analytical Chemistry . doi:10.1021/acs.analchem.8b02051 (In Press)

Auinger, Michael, Praig, Vera G., Linder, Bernhard and Danninger, H. (Herbert) (2015) Grain boundary oxidation in iron-based alloys, investigated by 18O enriched water vapour : the effect of mixed oxides in binary and ternary Fe-{Al, Cr, Mn, Si} systems. Corrosion Science, 96 . pp. 133-143. doi:10.1016/j.corsci.2015.04.009

Avraam, Philip W., Hine, Nicholas, Tangney, Paul and Haynes, Peter D. (2011) Factors influencing the distribution of charge in polar nanocrystals. Physical Review B (Condensed Matter and Materials Physics), 83 (24). pp. 1-5. 241402(R) . doi:10.1103/PhysRevB.83.241402

Avraam, Philip W., Hine, Nicholas, Tangney, Paul and Haynes, Peter D. (2012) Fermi-level pinning can determine polarity in semiconductor nanorods. Physical Review B (Condensed Matter and Materials Physics), 85 (11). pp. 1-9. 115404 . doi:10.1103/PhysRevB.85.115404

Awasthi, Shalini, Gupta, Shalini, Tripathi, Ravi and Nair, Nisanth N. (2018) Mechanism and kinetics of Aztreonam hydrolysis catalyzed by class-C β-lactamase : a temperature-accelerated sliced sampling study. The Journal of Physical Chemistry B, 122 (15). pp. 4299-4308. doi:10.1021/acs.jpcb.8b01287

Awasthi, Shalini, Kapil, Venkat and Nair, Nisanth N. (2016) Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics. Journal of Computational Chemistry, 37 (16). pp. 1413-1424. doi:10.1002/jcc.24349

Awasthi, Shalini and Nair, Nisanth N. (2017) Exploring high dimensional free energy landscapes : temperature accelerated sliced sampling. The Journal of Chemical Physics, 146 (9). 094108. doi:10.1063/1.4977704

Awasthi, Shalini and Nair, Nisanth N. (2018) Exploring high-dimensional free energy landscapes of chemical reactions. Wiley Interdisciplinary Reviews : Computational Molecular Science . e1398. doi:10.1002/wcms.1398 (In Press)

Bai, Chenyao, Leeson, Mark S. and Higgins, Matthew D. (2014) Minimum energy channel codes for molecular communications. Electronics Letters, 50 (23). pp. 1669-1671. doi:10.1049/el.2014.3345

Bai, Chenyao, Leeson, Mark S. and Higgins, Matthew D. (2015) Performance of SW-ARQ in bacterial quorum communications. Nano Communication Networks, Volume 6 (Number 1). pp. 3-14. doi:10.1016/j.nancom.2014.11.001

Baker, Lewis A., Clark, Sarah L., Habershon, Scott and Stavros, Vasilios G. (2017) Ultrafast transient absorption spectroscopy of the sunscreen constituent ethylhexyl triazone. The Journal of Physical Chemistry Letters, 8 (10). pp. 2113-2118. doi:10.1021/acs.jpclett.7b00633

Baker, Lewis A., Greenough, Simon E. and Stavros, Vasilios G. (2016) A perspective on the ultrafast photochemistry of solution-phase sunscreen molecules. The Journal of Physical Chemistry Letters, 7 (22). pp. 4655-4665. doi:10.1021/acs.jpclett.6b02104

Baker, Lewis A., Grosvenor, Lucy C., Ashfold, M. N. R. and Stavros, Vasilios G. (2016) Ultrafast photophysical studies of a multicomponent sunscreen : oxybenzone - titanium dioxide mixtures. Chemical Physics Letters, 664 . pp. 39-43.

Baker, Lewis A., Horbury, Michael D., Greenough, Simon E., Ashfold, Michael N. R. and Stavros, Vasilios G. (2015) Broadband ultrafast photoprotection by oxybenzone across the UVB and UVC spectral regions. Photochemical & Photobiological Sciences, 14 (10). pp. 1814-1820. doi:10.1039/C5PP00217F

Baker, Lewis A., Horbury, Michael D., Greenough, Simon E., Coulter, Philip M., Karsili, Tolga N. V., Roberts, Gareth M., Orr-Ewing, Andrew J., Ashfold, Michael N. R. and Stavros, Vasilios G. (2015) Probing the ultrafast energy dissipation mechanism of the sunscreen oxybenzone after UVA irradiation. Journal of Physical Chemistry Letters, 6 (8). pp. 1363-1368. doi:10.1021/acs.jpclett.5b00417

Baker, Lewis A. and Stavros, Vasilios G. (2016) Observing and understanding the ultrafast photochemistry in small molecules : applications to sunscreens. Science Progress, 9 (3). pp. 282-311. doi:10.3184/003685016X14684992086383

Bano , Anthony M., Rodger , P. Mark and Quigley, David (2014) New insight into the stability of CaCO3 surfaces and nanoparticles via molecular simulation. Langmuir, Volume 30 (Number 25). pp. 7513-7521. doi:10.1021/la501409j

Bao, Xianyang, Yu, Long, Simon, George P., Shen, Shirley, Xie, Fengwei, Liu, Hongsheng, Chen, Ling and Zhong, Lei (2018) Rheokinetics of graft copolymerization of acrylamide in concentrated starch and rheological behaviors and microstructures of reaction products. Carbohydrate Polymers, 192 . pp. 1-9. doi:10.1016/j.carbpol.2018.03.040

Barai, Anup, Uddin, Kotub, Widanage, Widanalage Dhammika, McGordon, Andrew and Jennings, P. A. (Paul A.) (2018) A study of the influence of measurement timescale on internal resistance characterisation methodologies for lithium-ion cells. Scientific Reports, 8 . 21. doi:10.1038/s41598-017-18424-5

Barlow, Tammie R., Brendel, Johannes C. and Perrier, Sébastien (2016) Poly(bromoethyl acrylate) : a reactive precursor for the synthesis of functional RAFT materials. Macromolecules, 49 (17). pp. 6203-6212. doi:10.1021/acs.macromol.6b00721

Barnett, James P., Dr., Blindauer, Claudia A., Kassaar, Omar, Khazaipoul, Siavash, Martin, Esther M., Sadler, P. J. and Stewart, Alan J. S. (2013) Allosteric modulation of zinc speciation by fatty acids. Biochimica et Biophysica Acta (BBA) - General Subjects, Volume 830 (Number 12). doi:10.1016/j.bbagen.2013.05.028

Barragán, Flavia, López-Senín, Paula, Salassa, Luca, Betanzos-Lara, Soledad, Habtemariam, Abraha, Moreno, Virtudes, Sadler, P. J. and Marchán, Vicente (2011) Photocontrolled DNA binding of a receptor-targeted organometallic ruthenium(II) complex. Journal of the American Chemical Society, Vol.133 (No.35). pp. 14098-14108. doi:10.1021/ja205235m

Barrios-Rivera, Jonathan, Xu, Yingjian and Wills, Martin (2019) Applications of N′-monofunctionalised TsDPEN derivatives in asymmetric catalysis. Organic & Biomolecular Chemistry . doi:10.1039/C8OB02889C (In Press)

Barry, Nicolas P. E., Pitto-Barry, Anaïs, Sánchez, Ana M., Dove, Andrew P., Procter, Richard J., Soldevila-Barreda, Joan J., Kirby, Nigel, Hands-Portman, Ian, Smith, Corinne J., O'Reilly, Rachel K., Beanland, R. and Sadler, P. J. (2014) Fabrication of crystals from single metal atoms. Nature Communications, Volume 5 . Article number 3851 . doi:10.1038/ncomms4851

Barry, Nicolas P. E., Pitto-Barry, Anaïs, Tran, Johanna, Spencer, Simon E. F., Johansen, Adam M., Sanchez, Ana M., Dove, Andrew P., O’Reilly, Rachel K., Deeth, Robert J., Beanland, R. and Sadler, P. J. (2015) Osmium atoms and Os2 molecules move faster on selenium-doped compared to sulfur-doped boronic graphenic surfaces. Chemistry of Materials, 27 (14). pp. 5100-5105. doi:10.1021/acs.chemmater.5b01853

Barry, Nicolas P. E. and Sadler, P. J. (2012) Dicarba-closo-dodecarborane-containing half-sandwich complexes of ruthenium, osmium, rhodium and iridium : biological relevance and synthetic strategies. Chemical Society Reviews, Vol.41 (No.8). pp. 3264-3279. doi:10.1039/c2cs15300a

Bartók, Albert P., Kermode, James R., Bernstein, Noam and Csányi, Gábor (2018) Machine learning a general-purpose interatomic potential for silicon. Physical Review X, 8 (4). 041048 . doi:10.1103/PhysRevX.8.041048

Barua, Sourabh, Ciomaga Hatnean, Monica, Lees, Martin R. and Balakrishnan, Geetha (2017) Signatures of the Kondo effect in VSe2. Scientific Reports, 7 . 10964. doi:10.1038/s41598-017-11247-4

Beadle, Jonathan D., Knuhtsen, Astrid, Hoose, Alex, Raubo, Piotr, Jamieson, Andrew G. and Shipman, Michael (2017) Solid-phase synthesis of oxetane modified peptides. Organic Letters, 19 (12). pp. 3303-3306. doi:10.1021/acs.orglett.7b01466

Beattie, Shane D., Loveridge, Melanie, Lain, Michael J., Ferraria, Stefania, Polzin, Bryant, Bhagat, Rohit and Dashwood, R. J. (2016) Understanding capacity fade in silicon based electrodes for lithium ion batteries using three electrode cells and upper cut-off voltage studies. Journal of Power Sources, 302 . pp. 426-430. doi:10.1016/j.jpowsour.2015.10.06

Beecham, Matthew P., Clarkson, Guy J., Hall, Gareth and Marsh, Andrew (2013) Nanostructures from self-assembling triazine tertiary amine N-oxide amphiphiles. ChemPhysChem, Volume 14 (Number 17). pp. 3909-3915. doi:10.1002/cphc.201300775

Bell, Craig A., Hedir, Guillaume, O'Reilly, Rachel K. and Dove, Andrew P. (2015) Controlling the synthesis of degradable vinyl polymers by xanthate-mediated polymerization. Polymer Chemistry, 6 (42). pp. 7447-7454. c5py01156f. doi:10.1039/c5py01156f

Bell, Craig A., Yu, Jiayi, Barker, Ian A., Truong, Vinh X., Cao, Zhen, Dobrinyin, Andrey V., Becker, Matthew L. and Dove, Andrew P. (2016) Independent control of elastomer properties through stereocontrolled synthesis. Angewandte Chemie International Edition, 55 (42). pp. 13076-13080. doi:10.1002/anie.201606750

Bell, Robert V., Parkins, Christopher C., Young, Robert A., Preuss, Corinna M., Stevens, Molly M. and Bon, Stefan Antonius Franciscus (2016) Assembly of emulsion droplets into fibers by microfluidic wet spinning. Journal of Materials Chemistry A, 4 (3). pp. 813-818. doi:10.1039/c5ta08917d

Benedetti, M., Congdon, Thomas R., Bassett, S. P., Alauhdin, M., Howdle, S. M., Haddleton, David M., Pisano, R., Sangermano, M. and Schiller, Tara L. (2017) Synthesis of polymeric microcapsules by interfacial-suspension cationic photopolymerisation of divinyl ether monomer in aqueous suspension. Polymer Chemistry, 8 (6). 972-975 . doi:10.1039/C6PY01782G

Bentley, Cameron Luke, Andronescu, Corina, Smialkowski, Mathias, Kang, Minkyung, Tarnev, Tsvetan, Marler, Bernd, Unwin, Patrick R., Apfel, Ulf-Peter and Schuhmann, Wolfgang (2018) Local surface structure and composition control the hydrogen evolution reaction on iron nickel sulfides. Angewandte Chemie International Edition, 57 (15). pp. 4093-4097. doi:10.1002/anie.201712679

Bentley, Cameron Luke, Kang, Minkyung, Maddar, Faduma, Li, Fengwang, Walker, Marc, Zhang, Jie and Unwin, Patrick R. (2017) Electrochemical maps and movies of the hydrogen evolution reaction on natural crystals of molybdenite (MoS2) : basal vs. edge plane activity. Chemical Science, 8 (9). pp. 6583-6593. doi:10.1039/c7sc02545a

Bentley, Cameron Luke, Kang, Minkyung and Unwin, Patrick R. (2017) Nanoscale structure dynamics within electrocatalytic materials. Journal of the American Chemical Society, 139 (46). pp. 16813-16821. doi:10.1021/jacs.7b09355

Bentley, Cameron Luke, Kang, Minkyung and Unwin, Patrick R. (2016) Time-resolved detection of surface oxide formation at individual gold nanoparticles : role in electrocatalysis and new approach for sizing by electrochemical impacts. Journal of the American Chemical Society . doi:10.1021/jacs.6b08124

Bentley, Cameron Luke, Perry, David and Unwin, Patrick R. (2018) Stability and placement of Ag/AgCl quasi-reference counter electrodes in confined electrochemical cells. Analytical Chemistry, 90 (12). pp. 7700-7707. doi:10.1021/acs.analchem.8b01588

Bentley, Cameron Luke and Unwin, Patrick R. (2018) Nanoscale electrochemical movies and synchronous topographical mapping of electrocatalytic materials. Faraday Discussions, 210 . 365-379 . doi:10.1039/c8fd00028j

Bertrand, Olivier, Wilson, Paul, Burns, James A., Bell, Gordon A. and Haddleton, David M. (2015) Cu(0)-mediated living radical polymerisation in dimethyl lactamide (DML) : an unusual green solvent with limited environmental impact. Polymer Chemistry, 6 (48). pp. 8319-8324. doi:10.1039/c5py01420d

Betanzos-Lara, Soledad, Habtemariam, Abraha, Clarkson, Guy J. and Sadler, P. J. (2011) Organometallic cis-Dichlorido ruthenium(II) ammine complexes. European Journal of Inorganic Chemistry, Volume 2011 (Number 21). pp. 3257-3264. doi:10.1002/ejic.201100250

Betanzos-Lara, Soledad, Novakova, Olga, Deeth, Robert J., Pizarro, Ana M., Clarkson, Guy J., Liskova, Barbora, Brabec, V. (Viktor), Sadler, P. J. and Habtemariam, Abraha (2012) Bipyrimidine ruthenium(II) arene complexes : structure, reactivity and cytotoxicity. JBIC Journal of Biological Inorganic Chemistry, 17 (7). pp. 1033-1051. doi:10.1007/s00775-012-0917-9

Betanzos-Lara, Soledad, Salassa, Luca, Habtemariam, Abraha, Novakova, Olga, Pizarro, Ana M., Clarkson, Guy J., Liskova, Barbora, Brabec, V. (Viktor) and Sadler, P. J. (2012) Photoactivatable organometallic pyridyl ruthenium(II) arene complexes. Organometallics, Vol.31 (No.9). pp. 3466-3479. doi:10.1021/om201177y

Bhagat, Rohit, Dye, D., Raghunathan, S. L., Talling, R. J., Inman, D. (Douglas), Jackson, B. K., Rao, K. K. (Kartik K.) and Dashwood, R. J. (2010) In situ synchrotron diffraction of the electrochemical reduction pathway of TiO2. Acta Materialia, Vol.58 (No.15). pp. 5057-5062. doi:10.1016/j.actamat.2010.05.041

Bhagat, Rohit, Jackson, M., Inman, D. and Dashwood, R. J. (2008) Production of Ti-W alloys from mixed oxide precursors via the FFC Cambridge process. Journal of The Electrochemical Society, Vol.156 (No.1). E1-E7. doi:10.1149/1.2999340

Biggs, Caroline I., Bailey, Trisha L., Graham, Ben, Stubbs, Christopher D., Fayter, Alice and Gibson, Matthew I. (2017) Polymer mimics of biomacromolecular antifreezes. Nature Communications, 8 . 1546. doi:10.1038/s41467-017-01421-7

Biggs, Caroline I., Walker, Marc and Gibson, Matthew I. (2016) ‘Grafting to’ of RAFTed responsive polymers to glass substrates by thiol-ene and critical comparison to thiol-gold coupling. Biomacromolecules, 17 (8). pp. 2626-2633. doi:10.1021/acs.biomac.6b00662

Bisset, Alexander A., Dishington, Allan, Jones, Teyrnon C., Clarkson, Guy J. and Wills, Martin (2014) Synthesis and reduction reactions of pyridones and 5-acyl-2-methoxypyridines. Tetrahedron, 70 (40). pp. 7207-7220. doi:10.1016/j.tet.2014.06.046

Bisset, Alexander A., Shiibashi, Akira, Desmond, Jasmine L., Dishington, Allan, Jones, Teyrnon, Clarkson, Guy J., Ikariya, Takao and Wills, Martin (2012) Synthesis and asymmetric hydrogenation of (3E)-1-benzyl-3-[(2-oxopyridin-1(2H)-yl)methylidene]piperidine-2,6-dione. Chemical Communications, 48 (98). pp. 11978-11980. doi:10.1039/c2cc36807b

Blackman, Lewis D., Doncom, Kay E. B., Gibson, Matthew I. and O'Reilly, Rachel K. (2017) Comparison of photo- and thermally initiated polymerization-induced self-assembly : a lack of end group fidelity drives the formation of higher order morphologies. Polymer Chemistry, 8 (18). pp. 2860-2871. doi:10.1039/C7PY00407A

Blackman, Lewis D., Gibson, Matthew I. and O'Reilly, Rachel K. (2016) Probing the causes of thermal hysteresis using tunable Nagg micelles with linear and brush-like thermoresponsive coronas. Polymer Chemistry, 8 . pp. 233-243. doi:10.1039/C6PY01191H

Blackman, Lewis D., Varlas, Spyridon, Arno, Maria Chiara, Fayter, Alice, Gibson, Matthew I. and O’Reilly, Rachel K. (2017) Permeable protein-loaded polymersome cascade nanoreactors by polymerization-induced self-assembly. ACS Macro Letters, 6 (11). pp. 1263-1267. doi:10.1021/acsmacrolett.7b00725

Blindauer, Claudia A., Khazaipoul , S., Yu, R. and Stewart, A. J. (2016) Fatty acid-mediated inhibition of metal binding to the multi-metal site on serum albumin : implications for cardiovascular disease. Current Trends in Medicinal Chemistry, 16 . doi:10.2174/1568026616666160216155927

Blindauer, Claudia A., Sigel, Astrid, Operschall, Bert P. , Griesser, Rolf, Holý, Antonín and Sigel, Helmut (2016) Extent of intramolecular π stacks in aqueous solution in mixed-ligand copper(II) complexes formed by heteroaromatic amines and the anticancer and antivirally active 9-[2-phosphonomethoxy)ethyl]guanine (PMEG).✩ a comparison with related acyclic nucleotide analogues. Polyhedron, 103 (Part B). pp. 248-260. doi:10.1016/j.poly.2015.02.022

Blowey, Phil J., Rochford, Luke A., Duncan, David A., Warr, Daniel, Lee, Tien-Lin, Woodruff, D. P. and Costantini, Giovanni (2017) Probing the interplay between geometric and electronic structure in a two-dimensional K-TCNQ charge transfer network. Faraday Discussions (204). pp. 97-110. doi:10.1039/C7FD00093F

Bomphrey, John James, Ashwin, M. J. and Jones, T. S. (Tim S.) (2015) The formation of high number density InSb quantum dots, resulting from direct InSb/GaSb (001) heteroepitaxy. Journal of Crystal Growth, 420 . pp. 1-5. doi:10.1016/j.jcrysgro.2015.03.025

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Mahony, Oliver, Yue, Sheng, Turdean-Ionescu, Claudia Adriana, Hanna, John V., Smith, Mark E., Lee, Peter D. and Jones, Julian R. (2014) Silica–gelatin hybrids for tissue regeneration : inter-relationships between the process variables. Journal of Sol-Gel Science and Technology, Volume 69 (Number 2). pp. 288-298. doi:10.1007/s10971-013-3214-3

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Zilka, Miri, Yates, Jonathan R. and Brown, Steven P. (2018) An NMR crystallography investigation of furosemide. Magnetic Resonance in Chemistry . doi:10.1002/mrc.4789 (In Press)

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de Laune, Benjamin P., Rees, Gregory J., Whitaker, Mariana J., Hah, Hien-Yoong, Johnson, Charles E., Johnson, Jacqueline A., Brown, Dennis E., Tucker, Matthew G., Hansen, Thomas C., Berry, Frank J., Hanna, John V. and Greaves, Colin (2017) Oxygen insertion reactions within the one-dimensional channels of phases related to FeSb2O4. Inorganic Chemistry, 56 (1). pp. 594-607. doi:10.1021/acs.inorgchem.6b02466

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Book Item

Koncsag, Claudia I. and Barbulescu, Alina (2011) Liquid-liquid extraction with and without a chemical reaction. In: El-Amin, Mohamed, (ed.) Mass transfer in multiphase systems and its applications. [Rijeka, Croatia]: InTech, pp. 207-232. ISBN 978-953-307-215-9

Conference Item

Al-Amin, Mohammad and Murphy, John D. (2016) Hydrogenation effect on low temperature internal gettering in multicrystalline silicon. In: 43rd IEEE Photovoltaic Specialists Conference, Portland, Oregon, USA, 5-10 Jun 2016. Published in: Proceedings of the 2016 IEEE 43rd Photovoltaic Specialists Conference (PVSC) 0585-0590. ISBN 9781509027255.

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Khaliji Oskouei, Mohammadhasan and Tamainot-Telto, Zacharie (2014) Effect of packing density on thermal properties of granular activated carbon packed bed by using of inverse heat conduction method. In: 10th International Conference on Heat Transfer, Fluid Mechanics and Thermodynamics (HEFAT2014), Orlando, Florida, 14 - 16 July 2014. Published in: Proceedings of the 10th International Conference on Heat Transfer, Fluid Mechanics and Mechanics and Thermodynamics (HEFAT2014) (Number 1569892091). pp. 1-5.

Lychnos, George and Tamainot-Telto, Zacharie (2014) Experimental investigation of activated carbon : R723 pair for use in adsorption heat pump and refrigeration systems. In: 2014 International Sorption Heat Pump Conference, Maryland, USA, 31 Mar -3 Apr 2014. Published in: Proceedings of 2014 International Sorption Heat Pump Conference (Number 28). pp. 1-6.

Sulman, E. M., Matveeva, V. G., Manaenkov, O. V., Filatova, A. E., Kislitza, O. V., Doluda, V. Yu., Rebrov, Evgeny V., Sidorov, A. I. and Shimanskaya, E. I. (2016) Cellulose hydrogenolysis with the use of the catalysts supported on hypercrosslinked polystyrene. In: 4th International Conference on Fundamental and Applied Sciences, Kuala Lumpur, Malaysia, 15–17 Aug 2016. Published in: AIP Conference Proceedings, 1787 (1). 030004. ISBN 9780735414518. ISSN 0094-243X. doi:10.1063/1.4968069

Tamainot-Telto, Zacharie (2014) Novel exploitation of Dubinin-Astakhov theory in sorption reactor design for refrigeration and heat pumps applications. In: 2014 International Sorption Heat Pump Conference, Maryland, USA, 31 Mar -3 Apr 2014. Published in: Proceedings of 2014 International Sorption Heat Pump Conference (Number 84). pp. 1-4.

Submitted Journal Article

Dobrzanska, Dorota A., Cooper, Amy L., Dowson, Christopher G., Evans, Stephen D., Haynes, Tommy, Johnson, Benjamin R. G., Stec, Helena M., Taylor, Paul C. and Marsh, Andrew (2012) Protein-adhesive and protein-resistant functionalized silicon surfaces. Langmuir . (Submitted)

O'Brien, Aoife, Woodward, David I., Sardar, Kripasindhu, Walton, Richard I. and Thomas, Pam A. (2012) Inference of oxygen vacancies in hydrothermal Na0.5Bi0.5TiO3. Applied Physics Letters, Vol.101 (No.14). p. 142902. doi:10.1063/1.4755882

Woodward, David I., Lees, Martin R. and Thomas, Pam A. (2012) Structural phase transitions in the Ag2Nb4O11 – Na2Nb4O11 solid solution. Journal of Solid State Chemistry, Vol.192 . pp. 385-389. doi:10.1016/j.jssc.2012.04.014

Thesis or Dissertation

Aaronson, Barak D. B. (2015) High resolution electrochemical imaging for energy conversion and storage applications. PhD thesis, University of Warwick.

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Al Botros, Rehab (2015) Analytical approaches for probing surface properties and reactivity. PhD thesis, University of Warwick.

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Alabdulali, Haitham (2012) Strain-relaxed, high Ge content, SiGe layers grown on Si (100) substrate by reduced pressure - chemical vapour deposition (RP-CVD). MSc thesis, University of Warwick.

Alderman, Oliver L. G. (2013) The structure of vitreous binary oxides : silicate, germanate and plumbite networks. PhD thesis, University of Warwick.

Aldous, James D. (2011) Growth, characterisation and surface structures of MnSb and NiSb thin films. PhD thesis, University of Warwick.

Alkhalaf, Lona M. (2013) Structure, function and substrate tolerance of TxtC. PhD thesis, University of Warwick.

Allen, Paul Nicholas (1994) The quantification of SIMS depth profiles by Maximum Entropy reconstruction. PhD thesis, University of Warwick.

Alsubaie, Fehaid (2016) Cu(0)-mediated RDRP : synthesis of multiblock copolymers and mechanistic studies. PhD thesis, University of Warwick.

Alzahrani, Khalid (2017) Computational studies of paddlewheel complexes in isolation and incorporated into metal organic frameworks. PhD thesis, University of Warwick.

Alzhrani, Attyah (2011) Fabrication of anisotropic polymer colloid particles. PhD thesis, University of Warwick.

Amarasinghe, Don Praveen (2018) A study of the alignment of polymeric molecules and vesicles in fluid flows for linear dichroism experiments. PhD thesis, University of Warwick.

Ambrosio, Francesco (2014) Theoretical studies of the dynamics of electron transfer in dye sensitized solar cells and of the mechanism of singlet fission in organic crystalline materials. PhD thesis, University of Warwick.

Amri, Mahrez (2009) Investigation of thermal expansion behaviour of silicate and phosphate zeotype materials. PhD thesis, University of Warwick.

Anastasaki, Athina (2014) Shining a light on copper mediated living radical polymerisation : maximising end-group fidelity. PhD thesis, University of Warwick.

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Andrew, Rhiann (2016) Late transition metal complexes of NHC-based macrocycles. PhD thesis, University of Warwick.

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Emmanuel, Alaina E. O. (2015) Molecular simulation of ice growth inhibition by biomimetic antifreeze macromolecules. PhD thesis, University of Warwick.

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Fisher, Robin D. (2011) Conversion of gypsum to phosphate materials for novel composites with enhanced macroscopic properties. PhD thesis, University of Warwick.

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Fricker, Simon P. (1981) The effect of cytotoxic drugs on the DNA metabolism and proliferation of lymphoblasts. PhD thesis, University of Warwick.

Fu, Ying (2011) Organometallic osmium arene anticancer complexes. PhD thesis, University of Warwick.

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García Pérez, Angela (2018) Investigation of Siglec8 as a therapeutic target to treat asthma. PhD thesis, University of Warwick.

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Gierusz, Leszek A. (2012) Folding and fibril formation of prions. PhD thesis, University of Warwick.

Gill, Matthew Clive (2010) The ion conveyor : an ion focussing and conveying device for mass spectrometry. PhD thesis, University of Warwick.

Gilmour, William Q. (1980) Kinetic and thermodynamic studies of metal complexes formed by LIX 65N and related hydroxyomine ligands. PhD thesis, University of Warwick.

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Gou, Yanzi (2011) Synthesis of glycopolymers for the study of lectin-carbohydrate interactions. PhD thesis, University of Warwick.

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Griffin, Karen, PhD (2011) Lewis acid-promoted (3+2) cycloadditions and multi-component reactions of methyleneaziridines. PhD thesis, University of Warwick.

Grigg, Andrew T. (2013) The structure of divalent and trivalent cation substituted β-tricalcium phosphate. PhD thesis, University of Warwick.

Grime, John Michael Alexander (2008) Passive permeation in model biological membranes. PhD thesis, University of Warwick.

Guy, Collette S. (2013) New approaches to nitrogen heterocycles via radical cyclisations. PhD thesis, University of Warwick.

Hadden, David J. (2013) Exploring the role of σ* driven photochemistry in heteroaromatic molecules. PhD thesis, University of Warwick.

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Hall, Thomas Howard (2017) Applications of tethered asymmetric hydrogenation catalysts. PhD thesis, University of Warwick.

Hallaq, Hasan Y. (2012) Synthesis of novel photoprobes for mapping of the serotonin 5-HT3 receptor binding site. PhD thesis, University of Warwick.

Hallinan, Keith Oliver (1992) Synthetic and metabolic studies on [bēta],[gamma]-unsaturated [alpha]-amino acids. PhD thesis, University of Warwick.

Halliwell, Lauren (2013) Investigation and synthesis of alkyl cyanoacrylates and modification of x-ray contrast agents for incorporation into alkyl cyanoacrylate for use in medical devices. PhD thesis, University of Warwick.

Hammond, Max Leonard (2006) Imine catalyst stability. PhD thesis, University of Warwick.

Hancox, Ian (2013) Utilising high work function metal oxides as hole extracting layers for organic photovoltaic cells. PhD thesis, University of Warwick.

Hanrahan, Jane (1995) The synthesis of substituted phosphonic acids. PhD thesis, University of Warwick.

Hansell, Claire F. (2013) Tetrazine-norbornene cycloadditions in macromolecular synthesis and functionalisation. PhD thesis, University of Warwick.

Hardick, David James (1992) The biosynthesis of nojirimycins. PhD thesis, University of Warwick.

Harris, Keith J. (1990) The chemoenzymatic preparation of optically active molecules. PhD thesis, University of Warwick.

Harris, Matthew Eben (2013) Asymmetric lactam synthesis. PhD thesis, University of Warwick.

Harunsani, Mohammad H. (2013) Characterisation of mixed-metal oxides prepared by hydrothermal synthesis. PhD thesis, University of Warwick.

Harvey, Ian (1989) Applications of enzymatic methods to the preparation of enantiomerically pure compounds. PhD thesis, University of Warwick.

Haskins, Rebecca Jane (2001) Microelectrochemical studies of atom transfer and chain transfer catalysts. PhD thesis, University of Warwick.

Haynes, Stuart W. (2010) Mutasynthesis approaches to the preparation of streptorubin B analogues. PhD thesis, University of Warwick.

Hearn, Jessica M. (2015) Integrating cell screening and mechanism of action data for organometallic anticancer agents. PhD thesis, University of Warwick.

Hedir, Guillaume (2016) Functional degradable polymers via RAFT/MADIX mediated polymerization of cyclic ketene acetals and vinyl monomers. PhD thesis, University of Warwick.

Henderson, Christine Mary (1988) Applications of biocatalysts in the resolution of chiral organometallic compounds. PhD thesis, University of Warwick.

Hiley, Craig I. (2014) New oxides for catalysis from hydrothermal synthesis. PhD thesis, University of Warwick.

Hill, Alice (2017) Towards the stabilisation of enzymes via the synthesis of protein-polymer conjugates. PhD thesis, University of Warwick.

Hill, James (1991) Genetic manipulation and biochemical studies of Saccharomyces Cerevisiae. PhD thesis, University of Warwick.

Hill, Richard John (1974) Solution photochemistry of the uranyl ion. PhD thesis, University of Warwick.

Holland, David M. (2015) Nano-scale computational fluid dynamics with molecular dynamics pre-simulations. PhD thesis, University of Warwick.

Hoong, Seng Soi (2013) Synthesis of oligomers/polymers from plant oil derivatives. PhD thesis, University of Warwick.

Hooper, Thomas J. N. (2017) Solid state nuclear magnetic resonance on quadrupolar nuclei in disordered catalysis based materials. PhD thesis, University of Warwick.

Horbury, Michael D. (2016) Probing the photodynamics of photoprotective molecules and two-photon activated metal complexes. PhD thesis, University of Warwick.

Hough, Alexander J. (2013) Photochemical control of pyramidal inversion and photoactivation of antimicrobial agents. PhD thesis, University of Warwick.

Houghton, Benjamin J. (2015) The use of ligand field molecular mechanics and related tools in the design of novel spin crossover complexes. PhD thesis, University of Warwick.

Howes, David Anthony (1981) The synthesis of precursors and chiral intermediates of lipoic acid. PhD thesis, University of Warwick.

Howson, Suzanne E. (2011) Self-assembly and bioinorganic chemistry of optically pure helical complexes. PhD thesis, University of Warwick.

Hsueh, Nathanael (2017) Synthesis and reactions of aziridines via batch and flow processes. PhD thesis, University of Warwick.

Hua, Zan (2018) Synthetic nucleobase-containing acrylamide polymers and their applications in aqueous solutions. PhD thesis, University of Warwick.

Huang, Kuo-En (1997) Fuzzy control and its application to a pH process. PhD thesis, University of Warwick.

Huband, Steven (2013) Investigation of the structure and optical properties of LiNb1-xTaxO3. PhD thesis, University of Warwick.

Hughes, George Marc (2018) Design and mechanism of action of novel organoiridium(iii) azopyridine anticancer complexes. PhD thesis, University of Warwick.

Hughes, John (1974) A study of some early transition metal halide complexes. PhD thesis, University of Warwick.

Hui, Cho Fat (1980) Chemical modification of nucleosides and chemical cross-linking of polynucleotides. PhD thesis, University of Warwick.

Hunt, Jonathan Ralph (1991) Biotransformation of alkenes by Rhodococcus OU. PhD thesis, University of Warwick.

Hutchinson, Ian Paul (1994) The synthesis of 3-substituted-2-(nitromethylene)-piperidines. PhD thesis, University of Warwick.

Hutter, Oliver S. (2015) Nanostructured copper electrodes for organic photovoltaics. PhD thesis, University of Warwick.

Hutton, Laura A. (2011) Uses of polycrystalline boron-doped diamond in electroanalysis. PhD thesis, University of Warwick.

Huxley, Martin (2006) Testosterone as a delivery vector for platinum(II) metallodrugs. PhD thesis, University of Warwick.

Iacobini, Greg (2012) Synthesis of 1,2-diamines using nitrogen-containing heterocyclic templates. PhD thesis, University of Warwick.

Iacobini, James G. (2013) Exploiting the extreme properties of boron doped diamond in electroanalysis. PhD thesis, University of Warwick.

Illson, Timothy Frank (1988) A study of the preparation and reactions of titanium (IV) carboxylates. PhD thesis, University of Warwick.

Imam, Hasan T. (2015) Understanding cluster topology and metal-cluster dynamics of two zinc binding plant metallothionein isoforms. PhD thesis, University of Warwick.

Inam, Maria (2018) Morphological control in the solution crystallisation of polymeric nanoparticles. PhD thesis, University of Warwick.

Ip, Chung Man (2016) Theoretical studies in dye-sensitized solar cells and photo-catalysis at metal oxide interfaces. PhD thesis, University of Warwick.

Iqbal, Azhar (2010) Towards understanding the photochemistry of tyrosine. PhD thesis, University of Warwick.

Jackson, Anthony Trevor (1995) Tandem mass spectrometry of polymeric materials. PhD thesis, University of Warwick.

Jacobs, M. H. (1969) The nucleation and growth of precipitates in aluminium alloys. PhD thesis, University of Warwick.

Jaggers, Ross W. (2018) Soft responsive objects that use catalysis as a design tool. PhD thesis, University of Warwick.

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Jasztal, Michael John (1988) A study of monocarbon carbaboranes and some metalla derivatives. PhD thesis, University of Warwick.

Jenei, Zsuzsanna (2010) Transmembrane domain interactions in carnitine palmitoyltransferase I. PhD thesis, University of Warwick.

Jenkins, Linda S. (1980) Coordination chemistry of transition metal halides and carbonyl compounds. PhD thesis, University of Warwick.

Jeyaharan, Dhadchayini (2015) Biophysical study into the structure and substrate binding properties of peptido-mimetic ligands to carboxypeptidase G2. PhD thesis, University of Warwick.

Johnson, Brian (1973) Bilirubin and its esters. PhD thesis, University of Warwick.

Johnson, Tarn C. (2012) Iron and ruthenium catalysts for hydrogen transfer reactions. PhD thesis, University of Warwick.

Jolley, Katherine E. (2013) Development of catalysts for asymmetric hydrogenation. PhD thesis, University of Warwick.

Joseph, Maxim B. (2012) Development of methods for combinational approaches to cis-regulatory module interactions. PhD thesis, University of Warwick.

Judd, Lawrence (1988) Bimetallic complexes of meta-substituted phosphinobenzenes. PhD thesis, University of Warwick.

Kabayo, John P. (1978) Studies in neuraminidases. PhD thesis, University of Warwick.

Kaner, Rebecca A. (2014) Amphipathic α-helix mimetics through asymmetric self-assembly on a metal scaffold. PhD thesis, University of Warwick.

Kang, Minkyung (2017) Single nanoparticle electrochemistry. PhD thesis, University of Warwick.

Kang, Yan (2015) Synthesis and self-assembly of nucleobase-containing polymers by RAFT techniques. PhD thesis, University of Warwick.

Kay, Christopher James (2014) Polyethylene block copolymers. PhD thesis, University of Warwick.

Kebbell, Michael James (1984) A study of the chemistry of nitrogen mustard by N.M.R. spectroscopy. PhD thesis, University of Warwick.

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Dataset

Al-Amin, Mohammad and Murphy, John D. (2017) Data for Combining low-temperature gettering with phosphorus diffusion gettering for improved multicrystalline silicon. [Dataset]

Baker, Lewis A., Clark, Sarah L., Habershon, Scott and Stavros, Vasilios G. (2017) Data for Ultrafast transient absorption spectroscopy of the sunscreen constituent ethylhexyl triazone. [Dataset]

Biswas, Sourav, Goura, Joydeb, Das, Sourav, Topping, Craig V., Brambleby, Jamie, Goddard, Paul and Chandrasekhar, Vadapalli (2016) Data for Octanuclear heterobimetallic {Ni4Ln4} assemblies possessing Ln4 square grid [2×2] motifs: synthesis, structure and magnetism. [Dataset]

Buxton, Samuel and Habershon, Scott (2017) Data for Accelerated path-integral simulations using ring-polymer interpolation. [Dataset]

Cook, Daniel Sean, Wu, Yue, Lienau, Karla, More, Rene, Kashtiban, Reza J., Magdysyuk, Oxana, Patzke, Greta R. and Walton, Richard I. (2017) Data for Time-resolved powder X-ray diffraction of the solvothermal crys-tallization of cobalt gallate spinel photocatalyst reveals transient layered double hydroxides. [Dataset]

Davies, Gemma L. (2017) Data for Rare earth doped silica nanoparticles via thermolysis of a single source metallasilsesquioxane precursor. [Dataset]

Della Pia, Ada, Riello, Massimo, Lawrence, James M., Stassen, Daphné, Jones, T. S., Bonifazi, Davide, De Vita, Alessandro and Costantini, Giovanni (2016) Data for Two-dimensional ketone-driven metal–organic coordination on Cu(111). [Dataset]

Footman, Charlotte, de Jongh, Patrick A. J. M., Tanaka, Joji, Peltier, Raoul, Davis, Thomas P. and Wilson, Paul (2017) Data for Thiol-reactive (co)polymer scaffolds comprising organic arsenical acrylamides. [Dataset]

Fox, David J. (2017) Data for NMR-based assignment of isoleucine vs allo-isoleucine stereochemistry. [Dataset]

Fox, David J. (2015) Data for Total synthesis of the Azolemycins. [Dataset]

(2016) Data for Control of the third dimension in copper-based square-lattice antiferromagnets. [Dataset]

Goura, Joydeb, Brambleby, Jamie, Topping, Craig V., Goddard, Paul, Narayanan, Ramakirushnan Suriya, Bar, Arun Kumar and Chandrasekhar, Vadapalli (2016) Data for Heterometallic trinuclear {CoIIILnIII} (Ln = Gd, Tb, Ho and Er) complexes in a bent geometry. Field-induced single-ion magnetic behavior of the ErIII and TbIII analogues. [Dataset]

Grant, Nicholas E., Niewelt, Tim, Wilson, Neil R., Wheeler-Jones, Evé, Bullock, James, Al-Amin, Mohammad, Schubert, Martin C., van Veen, André C., Javey, Ali and Murphy, John D. (2017) Data for Superacid-Treated Silicon Surfaces: Extending the Limit of Carrier Lifetime for Photovoltaic Applications. [Dataset]

Habershon, Scott and Baker, Lewis A. Data for Photosynthetic pigment-protein complexes as highly-connected networks : implications for robust energy transport. [Dataset]

Habershon, Scott and Richings, Gareth (2017) Data for Direct grid-based quantum dynamics on propagated diabatic potential energy surfaces. [Dataset]

Habershon, Scott and Richings, Gareth (2017) Data for Direct quantum dynamics using grid-based wavefunction propagation and machine-learned potential energy surfaces. [Dataset] (Submitted)

Habershon, Scott, Richings, Gareth and Robertson, Christopher (2018) Data for Improved on-the-fly MCTDH simulations with many-body-potential tensor decomposition and projection diabatisation. [Dataset]

Habershon, Scott and Richtings, Gareth (2018) Data for MCTDH on-the-fly: efficient grid-based quantum dynamics without pre-computed potential energy surfaces. [Dataset] (Unpublished)

Habershon, Scott and Robertson, Christopher (2017) Data for Harmonic-phase path-integral approximation of thermal quantum correlation functions. [Dataset]

Hiley, Craig I., Fisher, Janet M., Kashtiban, Reza J., Cibin, Giannantonio, Thompsett, David and Walton, Richard I. (2018) Data for Incorporation of Sb5+ into CeO2 : local structural distortion of the fluorite structure from a pentavalent substituent. [Dataset]

Hooper, Thomas J. N., Partridge, Thomas A., Rees, Gregory J., Keeble, Dean Samuel, Powell, Nigel A., Smith, Mark E., Mikheenko, Iryna P., Macaskie, Lynne E., Bishop, Peter T. and Hanna, John V. (2018) Data for Direct solid state NMR observation of the 105Pd nucleus in inorganic compounds and palladium metal systems. [Dataset]

Kaner, Rebecca A., Allison, Simon A., Faulkner, Alan D., Simpson, Daniel H., Waterfield, Nicholas R., Phillips, Roger M., Roper, David I., Shepherd, Samantha L. and Scott, Peter (2015) Data for Anticancer metallohelices : nanomolar potency and high selectivity. [Dataset]

Kunicki, Hannah, Chamberlain, Thomas W., Clarkson, Guy J., Kashtiban, Reza J., Hooper, Joseph E., Dawson, Daniel M., Ashbrook, Sharon E. and Walton, Richard I. (2018) Data for An expanded MIL-53-type coordination polymer with a reactive pendant ligand. [Dataset]

Laker, Zachary P. L., Marsden, Alexander J., De Luca, Oreste, Della Pia, Ada, Alves Perdigão, Luis M., Costantini, Giovanni and Wilson, Neil R. (2017) Data for Monolayer-to-thin-film transition in supramolecular assemblies: the role of topological protection. [Dataset]

Li, Jian-Hao and Hine, Nicholas (2018) Dataset for Photophysics and photochemistry of DNA molecules : electronic excited states leading to thymine dimerization. [Dataset]

Lifanov, Yuri (2016) Data for Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways. [Dataset]

Manson, Jamie L., Schlueter, J. A., Garrett, Kerry E., Goddard, Paul, Lancaster, Tom, Möller, Johannes S., Blundell, Stephen, Steele, Andrew J., Franke, Isabel, Pratt, Francis L., Singleton, John, Bendix, Jesper, Lapidus, Saul H., Uhlarz, M., Ayala-Valenzuela, Oscar, McDonald, Ross D., Gurak, Mary and Baines, Christopher (2016) Data for Bimetallic MOFs (H3O)x[Cu(MF6)(pyrazine)2]·(4-x)H2O (M = V4+, x = 0; M = Ga3+, x = 1) : co-existence of ordered and disordered quantum spins in the V4+ system. [Dataset]

Marsh, Andrew, Casey-Green, Katherine, Probert, Fay, Withall, David M., Mitchell, Daniel A., Dilly , Suzanne J., James, Sean G., Dimitri, Wade, Ladwa, Sweta R. L., Taylor, Paul C. and Singer, Donald R. J. (2015) Data for Simvastatin sodium salt and fluvastatin interact with human gap junction gamma-3 protein. [Dataset]

Maruyoshi, Keisuke, Iuga, Dinu, Watts, Abigail E., Hughes, Colan E., Harris, Kenneth D.M. and Brown, Steven P. (2017) Data for Assessing the detection limit of a minority solid-state form of a pharmaceutical by 1H double-quantum MAS NMR spectroscopy. [Dataset]

Mitchell, Daniel A., Fayter, Alice, Deller, Robert C., Hasan, Muhammad, Gutierrez-Marcos, José F. and Gibson, Matthew I. (2018) Data for Ice-recrystallization inhibiting polymers protect proteins against freeze-stress and enable glycerol-free cryostorage. [Dataset]

Neniškis, Algirdas, Račkauskaitė, Dovilė, Shi, Qixun, Robertson, Aiden, Marsh, Andrew, Ulčinas, Artūras, Valiokas, Ramūnas, Brown, Steven P., Warnmark, Kenneth and Orentas, Edvinas (2018) Data for A tautoleptic approach to chiral hydrogen-bonded supramolecular tubular polymers with large cavity. [Dataset]

Poeppler, Ann-Christin, Walker, David and Brown, Steven P. (2016) Data for A combined NMR crystallographic and PXRD investigation of the structure-directing role of water molecules in orotic acid and its lithium and magnesium salts. [Dataset]

Pointon, A. I., Grant, Nicholas E., Wheeler-Jones, Evé, Altermatt, P. P. and Murphy, John D. (2018) Data for Superacid-derived surface passivation for measurement of ultra-long lifetimes in silicon photovoltaic materials. [Dataset]

Pöppler, Ann Christin, Corletta, Emily K., Pearce, Harriet, Seymour, Mark, Reid, Matthew M., Montgomery, Mark G. and Brown, Steven P. (2017) Data for Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil. [Dataset]

Ratamero, Erick Martins and Römer, Rudolf A. (2017) Data for touching proteins with virtual bare hands: how to visualize protein-drug complexes and their dynamics in virtual reality. [Dataset]

Reddy, G. N. Manjunatha, Marsh, Andrew, Masiero, Stefano, Davis, Jeffery T. and Brown, Steven P. (2015) Data for Interplay of non-covalent interactions in ribbon-like guanosine self-assembly : a NMR crystallography study. [Dataset]

Reddy, G. N. Manjunatha , Malon, Michal, Marsh, Andrew, Nishiyama, Yusuke and Brown, Steven P. (2016) Date for A fast magic-angle spinning three-dimensional NMR experiment for simultaneously probing H-H and N-H proximities in solids. [Dataset]

Reddy, Manjunatha, Huqi, Aida, Iuga, Dinu, Sakurai, Satoshi, Marsh, Andrew, Davis, Jeffery T., Masiero, Stefano and Brown, Steven P. (2016) Data for Co-existence of distinct supramolecular assemblies in solution and in the solid state. [Dataset]

Rutter, Gil (2017) Data for Emergence of order in self-assembly of the intrinsically disordered biomineralisation peptide n16N. [Dataset]

Stubbs, Christopher, Congdon, Thomas R. and Gibson, Matthew I. (2019) Data for Photo-polymerisation and study of the ice recrystallisation inhibition of hydrophobically modified poly(vinyl pyrrolidone) co-polymers. [Dataset]

Stubbs, Christopher D. (David), Wilkins, Laura E., Fayter, Alice, Walker, Marc and Gibson, Matthew I. (2018) Data for Multivalent presentation of ice recrystallization inhibiting polymers on nanoparticles retains activity. [Dataset]

Tomás, Ruben M. F., Martyn, Benjamin T., Bailey, Trisha L. and Gibson, Matthew I. (2018) Data for Engineering cell surfaces by covalent grafting of synthetic polymers to metabolically-labeled glycans. [Dataset]

Turner, M. A. P., Horbury, Michael D., Stavros, Vasilios G. and Hine, Nicholas (2019) Data for Determination of secondary species in solution through pump-selective transient absorption spectroscopy and explicit-solvent TDDFT. [Dataset]

Venâncio, Tiago, Oliveira, Lyege Magalhaes, Ellena, Javier, Boechat, Nubia and Brown, Steven P. (2017) Data for Probing intermolecular interactions in a diethylcarbamazine citrate salt by fast MAS 1H solid-state NMR spectroscopy and GIPAW calculations. [Dataset]

Venâncio, Tiago, Oliveira, Lyege Magalhaes, Pawlak, Tomasz, Ellena, Javier, Boechat, Nubia and Brown, Steven P. (2018) Data for The use of variable temperature 13C solid‐state MAS NMR and GIPAW DFT calculations to explore the dynamics of diethylcarbamazine citrate. [Dataset]

Walton, Richard I. (2018) Data for Pair distribution function analysis of structural disorder by nb5+ inclusion in ceria: evidence for enhanced oxygen storage capacity from under-coordinated oxide. [Dataset]

Walton, Richard I. (2017) Data for Structural Disorder in (Bi, M)2(Fe, Mn, Bi)2O6+x (M = Na or K) Pyrochlores Seen from Reverse Monte Carlo Analysis of Neutron Total Scattering. [Dataset]

Webber, Amy L. and Brown, Steven P. (2015) Data for Self-assembled oligoanilinic nanosheets : molecular structure revealed by solid-state NMR spectroscopy. [Dataset]

Zhu, Chongyu, Jinxin, Zhao, Kempe, Kristian, Wilson, Paul, Wang, Jiping , Velkov, Tony , Li, Jian , Davis, Thomas P., Whittaker, Michael R. and Haddleton, David M. (2017) Data for A hydrogel based localized release of colistin for antimicrobial treatment of burn wound infection. [Dataset]

Zhu, Chongyu, Schneider, Elena K., Nikolaou, Vasiliki, Klein, Tobias, Li, Jian, Davis, Thomas P., Whittaker, Michael R., Wilson, Paul, Kempe, Kristian, Velkov, Tony and Haddleton, David M. (2017) Data for Hydrolyzable poly[poly(ethylene glycol) methyl ether acrylate]–colistin prodrugs through copper-mediated photoinduced living radical polymerization. [Dataset]

Zilka, Miri, Dudenko, Dmytro V., Hughes, Colan E., Williams, P. Andrew, Sturniolo, Simone, Franks, W. Trent, Pickard, Chris J., Yates, Jonathan R., Harris, Kenneth D. M. and Brown, Steven P. (2017) Data for Ab-Initio random structure searching of organic molecular solids: assessment and validation against experimental data. [Dataset]

Zimmermann, Nils E. R., Vorselaars, Bart, Espinosa, Jorge R., Quigley, David, Smith, William R., Sanz, Eduardo, Vega, Carlos and Peters, Baron (2018) Data for NaCl nucleation from brine in seeded simulations : sources of uncertainty in rate estimates. [Dataset]

Öster, Carl, Kosol, Simone, Hartlmuller, Christoph, Lamley, Jonathan M., Iuga, Dinu, Oss, Andres, Org, Mai-Liis, Vanatalu, Kalju, Samoson, Ago, Madl, Tobias and Lewandowski, Józef R. (2017) Data for Characterization of Protein−Protein Interfaces in Large Complexes by Solid-State NMR Solvent Paramagnetic Relaxation Enhancements. [Dataset] (In Press)

Öster, Carl, Walkowiak, Grzegorz P., Hughes, Dallas E., Spoering, Amy L., Peoples, Aaron J., Catherwood, Anita C., Tod, Julie A., Lloyd, Adrian J., Herrmann, Torsten, Lewis, Kim, Dowson, Christopher G. and Lewandowski, Józef R. (2018) Data for Structural studies suggest aggregation as one of the modes of action for teixobactin. [Dataset]