Items where Author is "Robinson, D"

Journal article

WINSLOW, M., HAZELBY, A. and ROBINSON, D., 2024. Spin-restricted descriptions of singlet oxygen reactions from XMS-CASPT2 benchmarks. The Journal of Physical Chemistry A. ISSN 1089-5639

LIU, Y., COLES, N.T., CAJIAO, N., TAYLOR, L.J., DAVIES, E.S., BARBOUR, A., MORGAN, P., BUTLER, K., POINTER-GLEADHILL, B., ARGENT, S., MCMASTER, J., NEIDIG, M.L., ROBINSON, D. and KAYS, D.L., 2024. Mechanistic investigations of the Fe(II) mediated synthesis of squaraines. Chemical Science. ISSN 2041-6520

AMIN, S.S., JONES, K.D., KIBLER, A.J., DAMIAN, H.A., CAMERON, J.M., BUTLER, K.S., ARGENT, S.P., WINSLOW, M., ROBINSON, D., MITCHELL, N.J., LAM, H.W. and NEWTON, G.N., 2023. Diphosphoryl‐functionalized polyoxometalates: structurally and electronically tunable hybrid molecular materials. Angewandte Chemie International Edition. ISSN 1433-7851

KIBLER, A.J., TSANG, N., WINSLOW, M., ARGENT, S.P., LAM, H.W., ROBINSON, D. and NEWTON, G.N., 2023. Electronic structure and photoactivity of organoarsenic hybrid polyoxometalates. Inorganic Chemistry. ISSN 0020-1669

TSOURI, A.M. and ROBINSON, D., 2022. Reactions of singlet oxygen with cholesterol: a computational study. Molecular Physics: e2139305. ISSN 0026-8976

WINSLOW, M. and ROBINSON, D., 2022. Computational development of a phase-sensitive membrane raft probe. Physical Chemistry Chemical Physics. ISSN 1463-9076

AMIN, S.S., CAMERON, J.M., WINSLOW, M., DAVIES, E.S., ARGENTC, S.P., ROBINSON, D. and NEWTON, G.N., 2022. A mixed‐addenda Mo/W organofunctionalized hybrid polyoxometalate. European Journal of Inorganic Chemistry. ISSN 1434-1948

AL-JABIRY, A., PALMER, M., LANGRIDGE, J., BELLAMY-CARTER, J., ROBINSON, D. and OLDHAM, N.J., 2021. Combined chemical modification and collision induced unfolding using native ion mobility‐mass spectrometry provides insights into protein gas‐phase structure. Chemistry – A European Journal, 27 (55), pp. 13783-13792. ISSN 0947-6539

ROBINSON, D., ALARFAJI, S.S. and HIRST, J.D., 2021. Benzene, toluene, and monosubstituted derivatives: diabatic nature of the oscillator strengths of S1 ← S0 transitions. The Journal of Physical Chemistry A. ISSN 1089-5639

GOLDING, D.J.L., CARTER, N., ROBINSON, D. and FITZPATRICK, A.J., 2020. Crystallisation-induced emission enhancement in Zn(II) Schiff base complexes with a tuneable emission colour. Sustainability, 12 (22): 9599. ISSN 2071-1050

WINSLOW, M., CROSS, W.B. and ROBINSON, D., 2020. A comparison of spin-flip TDDFT-based conical intersection approaches with XMS-CASPT2. Journal of Chemical Theory and Computation, 16 (5), pp. 3253-3263. ISSN 1549-9618

NOUCH, R., WOODWARD, S., WILLCOX, D., ROBINSON, D. and LEWIS, W., 2020. Mechanistic-insight-driven rate enhancement of asymmetric copper-catalyzed 1,4-addition of dialkylzinc reagents to enones. Organometallics, 39 (6), pp. 834-840. ISSN 0276-7333

SOLÉ-DAURA, A., RODRÍGUEZ-FORTEA, A., POBLET, J.M., ROBINSON, D., HIRST, J.D. and CARBÓ, J.J., 2020. Origin of selectivity in protein hydrolysis by Zr(IV)-containing metal oxides as artificial proteases. ACS Catalysis, 10 (22), pp. 13455-13467. ISSN 2155-5435

ROBINSON, D., IRVINE, D.J., ROBINSON, J.P., LESTER, E.H., KINGMAN, S.W. and DIMITRAKIS, G., 2019. Predicting the behaviour of near-critical and supercritical alcohols at microwave frequencies: Validation of molecular dynamic simulations as a tool that can substitute for measurements under extreme experimental conditions. The Journal of Supercritical Fluids, 146, pp. 165-171. ISSN 0896-8446

SHARPE, H.R., GEER, A.M., TAYLOR, L.J., GRIDLEY, B.M., BLUNDELL, T.J., BLAKE, A.J., DAVIES, E.S., LEWIS, W., MCMASTER, J., ROBINSON, D. and KAYS, D.L., 2018. Selective reduction and homologation of carbon monoxide by organometallic iron complexes. Nature Communications, 9 (1): 3757. ISSN 2041-1723

ROBINSON, D., 2018. Comparison of the transition dipole moments calculated by TDDFT with high level wavefunction theory. Journal of Chemical Theory and Computation. ISSN 1549-9618

RUSBRIDGE, E.K., PENG, Y., POWELL, A.K., ROBINSON, D. and FITZPATRICK, A.J., 2018. An octahedral tetrachlorido Fe(II) complex with aminopyrazinium ligands from a serendipitous redox synthesis exhibiting magnetic exchange through non-covalent 3-D architectures. Dalton Transactions. ISSN 1477-9226

RIPOLL, C., CHENG, C., GARCIA-FERNANDEZ, E., LI, J., ORTE, A., DO, H., JIAO, L., ROBINSON, D., CROVETTO, L., GONZÁLEZ-VERA, J.A., TALAVERA, E.M., ALVAREZ-PEZ, J.M., BOENS, N. and RUEDAS-RAMA, M.J., 2018. Synthesis and spectroscopy of benzylamine-substituted BODIPYs for bioimaging. European Journal of Organic Chemistry. ISSN 1434-193X

SHAW, D., HILL, R.E., SIMSPON, N., HUSSEINI, F., ROBB, K., GREETHAM, G.M., TOWRIE, M., PARKER, A.W., ROBINSON, D., HIRST, J., HOSKISSON, P.A. and HUNT, N., 2017. Examining the role of protein structural dynamics in drug resistance in Mycobacterium tuberculosis. Chemical Science, 8 (12), pp. 8384-8399. ISSN 2041-6520

WILLCOX, D., NOUCH, R., KINGSBURY, A., ROBINSON, D., CAREY, J., BROUGH, S. and WOODWARD, S., 2017. Kinetic analysis of copper(I)/feringa-phosphoramidite catalysed AlEt3 1,4-addition to cyclohex-2-en-1-one. ACS Catalysis. ISSN 2155-5435

FUJIMOTO, S., CAMERON, J.M., WEI, R.-J., KASTNER, K., ROBINSON, D., SANS, V., NEWTON, G.N. and OSHIO, H., 2017. A simple approach to the visible-light photoactivation of molecular metal oxides. Inorganic Chemistry. ISSN 0020-1669

HUSSEINI, F.S., ROBINSON, D., HUNT, N.T., PARKER, A.W. and HIRST, J.D., 2017. Computing infrared spectra of proteins using the exciton model. Journal of Computational Chemistry, 38 (16), pp. 1362-1375. ISSN 0192-8651

HURD, C.A., BESLEY, N.A. and ROBINSON, D., 2017. A QM/MM study of the nature of the entatic state in plastocyanin. Journal of Computational Chemistry, 38 (16), pp. 1431-1437. ISSN 0192-8651

CAMERON, J.M., FUJIMOTO, S., KASTNER, K., WEI, R.-J., ROBINSON, D., SANS, V., NEWTON, G.N. and OSHIO, H.H., 2017. Orbital Engineering: Photoactivation of an Organofunctionalized Polyoxotungstate. Chemistry: A European Journal, 23 (1), pp. 47-50. ISSN 0947-6539

GHUMMAN, A. and ROBINSON, D., 2016. Modulation of the Turkey β1-Adrenergic Receptor by Membrane Rafts - Insight from Molecular Dynamics. ChemistrySelect, 1 (14), pp. 4274-4276. ISSN 2365-6549

WEI, R.-J., SHIGA, T., NEWTON, G.N., ROBINSON, D., TAKEDA, S. and OSHIO, H., 2016. A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules. Inorganic Chemistry, 55 (23), pp. 12114-12117. ISSN 0020-1669

ORTE, A., DEBROYE, E., RUEDAS-RAMA, M.J., GARCIA-FERNANDEZ, E., ROBINSON, D., CROVETTO, L., TALAVERA, E.M., ALVAREZ-PEZ, J.M., LEEN, V., VERBELEN, B., CUNHA DIAS DE REZENDE, L., DEHAEN, W., HOFKENS, J., VAN DER AUWERAER, M. and BOENS, N., 2016. Effect of the substitution position (2, 3 or 8) on the spectroscopic and photophysical properties of BODIPY dyes with a phenyl, styryl or phenylethynyl group. RSC Advances, 6 (105), pp. 102899-102913. ISSN 2046-2069

BHAT, S.V., ROBINSON, D., MOSES, J.E. and SHARMA, P., 2016. Synthesis of Oxadiazol-5-imines via the Cyclizative Capture ofin SituGenerated Cyanamide Ions and Nitrile Oxides. Organic Letters, 18 (5), pp. 1100-1103. ISSN 1523-7060

JIAO, L., YU, C., WANG, J., BRIGGS, E.A., BESLEY, N.A., ROBINSON, D., RUEDAS-RAMA, M.J., ORTE, A., CROVETTO, L., TALAVERA, E.M., ALVAREZ-PEZ, J.M., VAN DER AUWERAER, M. and BOENS, N., 2015. Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes. RSC Advances, 5 (109), pp. 89375-89388. ISSN 2046-2069

LI, Z., ROBINSON, D. and HIRST, J.D., 2015. Vibronic structure in the far-UV electronic circular dichroism spectra of proteins. Faraday Discussions, 177, pp. 329-344. ISSN 1359-6640

ROBINSON, D., 2014. Accurate Excited State Geometries within Reduced Subspace TDDFT/TDA. Journal of Chemical Theory and Computation, 10 (12), pp. 5346-5352. ISSN 1549-9618

BLAKE, H. and ROBINSON, D., 2014. QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes. Molecules, 19 (7), pp. 10230-10241. ISSN 1420-3049

ROBINSON, D., 2013. Splitting multiple bonds: A comparison of methodologies on the accuracy of bond dissociation energies. Journal of Computational Chemistry, 34 (30), pp. 2625-2634. ISSN 0192-8651

ROBINSON, D., 2013. A Polarizable Force-Field for Cholesterol and Sphingomyelin. Journal of Chemical Theory and Computation, 9 (5), pp. 2498-2503. ISSN 1549-9618

BRIGGS, E.A., BESLEY, N.A. and ROBINSON, D., 2013. QM/MM Excited State Molecular Dynamics and Fluorescence Spectroscopy of BODIPY. The Journal of Physical Chemistry A, 117 (12), pp. 2644-2650. ISSN 1089-5639

ROBINSON, D., BESLEY, N.A., O'SHEA, P. and HIRST, J.D., 2011. Water order profiles on phospholipid/cholesterol membrane bilayer surfaces. Journal of Computational Chemistry, 32 (12), pp. 2613-2618. ISSN 0192-8651

ROBINSON, D., BESLEY, N.A., O’SHEA, P. and HIRST, J.D., 2011. Di-8-ANEPPS Emission Spectra in Phospholipid/Cholesterol Membranes: A Theoretical Study. The Journal of Physical Chemistry B, 115 (14), pp. 4160-4167. ISSN 1520-6106

BESLEY, N.A. and ROBINSON, D., 2011. Theoretical simulation of the spectroscopy and dynamics of a red copper protein. Faraday Discussions, 148, pp. 55-70. ISSN 1359-6640

ROBINSON, D. and BESLEY, N.A., 2010. Modelling the spectroscopy and dynamics of plastocyanin. Physical Chemistry Chemical Physics, 12 (33), pp. 9667-9676. ISSN 1463-9076

Chapter in book

ZHANG, Z., ROBINSON, D. and TEPPER, J., 2018. Detecting hate speech on twitter using a convolution-GRU based deep neural network. In: A. GANGEMI, R. NAVIGLI, M.-E. VIDAL, P. HITZLER, R. TRONCY, L. HOLLINK, A. TORDAI and M. ALAM, eds., The Semantic Web: Proceedings of the 15th European Semantic Web Conference (ESWC 2018), Heraklion, Crete, Greece, 3-7 June 2018. Lecture notes in computer science, 10843 . Cham, Switzerland: Springer, pp. 745-760. ISBN 9783319934167

Conference contribution

FLINT, K.J. and ROBINSON, D., 2008. Reflecting on reflection: towards a critical appraisal of 'Learning about learning' within Initial teacher education. In: Innovations and Development in Initial Teacher Education, Cumbria.

Confidential report for external body

PARRY, E., MCDOWALL, A., WILLIAMS, M., ROBINSON, D., KAMAU, S., CHAPMAN, S., WHYSALL, Z. and AGGLETON, A., 2016. Future generations' attitudes, values, expectations and the implications for UK defence: final report TIN 2.071. London: Defence Human Capability Science & Technology Centre (DHCSTC).