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Tony Morton-Blake
Fellow Emeritus, Chemistry

Publications and Further Research Outputs

Peer-Reviewed Publications

Atomistic Investigations of Ion Migration in Electroactive Polymers in, editor(s)Maryann C. Wythers , Advances in Materials Science Research. Volume 29 , https://www.novapublishers.com/catalog/product_info.php?products_id=61403, 2017, [D. A. Morton-Blake] Book Chapter, 2017

Introduction to the molecular dynamics of biomolecules in, editor(s)Azat Mukhametov , Software and techniques for bio-molecular modelling, http://austinpublishinggroup.com/ebooks , Austin Publishing Group , 2016, pp1-15 , [D. A. Morton-Blake] Book Chapter, 2016

D.A. Morton-Blake, The Entry of Ions into a Molecular Synthetic Channel in a Membrane, Periodical of Diffusion Fundamentals, 4, 2015, p119 - 135 Journal Article, 2015

D. A. Morton-Blake, Molecular Dynamics of the Transport of Ions in a Synthetic Channel, Diffusion Fundamentals, 1, 2014, p77 - 95 Journal Article, 2014 TARA - Full Text

D.A. Morton-Blake and Conan Kumari-Doyle, Molecular Dynamics of the transport of ions, 9th International Conference on Diffusion in Solids and Liquids, Madrid, Spain, 24 - 28 June 2013, edited by Prof. Andreas Oechsner , 2013 Conference Paper, 2013 TARA - Full Text

D.A. Morton-Blake and Conan Kumari-Doyle, The motion of an ion in a synthetic molecular ion channel, Computational and Theoretical Chemistry, 1008, (15 March), 2013, p74 - 82 Journal Article, 2013 DOI TARA - Full Text

D.A. Morton-Blake, An intermembrane ion trap, Journal of Molecular Liquids, 167, 2012, p57 - 68 Journal Article, 2012 TARA - Full Text

D.A. Morton-Blake, Björn Jenkins and Iwan Blake, The passage on an ion through a synthetic channel, Molecular Simulation, 37, (13), 2011, p1077 - 1084 Journal Article, 2011

D.A. Morton-Blake and Kalle Korpela, The trans-membrane mobilities of ions in a synthetic molecular channel under the influence of applied electric fields, Soft Matter, 6, 2010, p558 - 567 Journal Article, 2010

D.A.Morton-Blake and Darren Leith, The migration of ions through an electroactive polymer monolayer, Nanophenomena at Surfaces: Fundamentals of Exotic Condensed Matter Properties, Slanchev Bryag, Bourgas, Bulgaria, 2008, edited by Michail Michailov, Vessela Tsakova , 2009 Conference Paper, 2009

D.A. Morton-Blake and D. Leith, A molecular dynamics investigation of the stability of a charged electroactive polymer monolayer, Journal of Molecular Liquids, 144, 2009, p75 - 88 Journal Article, 2009

D.A. Morton-Blake and Darren Leith, Molecular Dynamics of Ions in two Forms of an Electroactive Polymer, Annals of the New York Academy of Sciences, 1161, 2009, p105 - 116 Journal Article, 2009

D.A. Morton-Blake and Darren Leith, Molecular Dynamics Investigations of Ionic Effects in two Conformations of an Electroactive Monolayer, Interdisciplinary Phenomena V: Fluid, Thermal, Biological, Materials and Space Sciences, Bansko, Bulgaria, 14-19 October 2007, edited by S.S. Sadhal , 2007 Conference Paper, 2007

D. A. Morton-Blake and E. Yurtsever, The entry of molecular species into the lattice of an electroactive polymer during its dissolution, Journal of Molecular Liquids , 124, (1-3), 2006, p106 - 113 Journal Article, 2006

J. Corish and D. A. Morton-Blake, The migration of anions through poly(3-octylthiophene) matrices, Phys. stat. sol. (c), 2, (1), 2005, p681 - 684 Journal Article, 2005 DOI URL

Darren Leith and D. A. Morton-Blake, A molecular dynamics simulation of the structure and properties of a self assembled monolayer formed from an amphiphilic polymer on a water surface, Molecular Simulation , 31, (14-15), 2005, p987 - 997 Journal Article, 2005

J.Corish and D.A.Morton-Blake, 'The migration of anions through poly(3-octylthiophene) matrices', Physica Status Solidi (C), 2, (1), 2005, p681 - 684 Journal Article, 2005

J. Corish and D. A. Morton-Blake, 'The migration of ions through poly(3-octylthiophene)', Synthetic Metals, 151, (1), 2005, p43 - 48 Journal Article, 2005

J. Corish and D. A. Morton-Blake, The migration of ions through poly(3-octylthiophene), Synthetic Metals, 151, (1), 2005, p49 - 59 Journal Article, 2005 URL DOI

Robert O'Farrell, Sadhbh O'Dwyer and D.A.Morton-Blake, 'The transport of an ion through a channel formed by a helical electroactive polymer', Molecular Simulation, 30, (10), 2004, p649 - 659 Journal Article, 2004

Joseph M. Hayes, James C. Greer, David A. Morton-Blake, 'A force-field description of short-range repulsions for high density alkane molecular dynamics simulations' , Journal of Computational Chemistry , 25, (16), 2004, p1953 - 1966 Journal Article, 2004

Ciara Bergin and D.A.Morton-Blake, A molecular dynamics investigation of compressed aqueous alkanoate monolayers, Molecular Simulation , 29, (9), 2003, p535- Journal Article, 2003

D.A.Morton-Blake and Yanyi Morton-Blake, Energy and conformation changes in the molecular structure of nanoscale films on application of stress: a computational study, Boundary and Mixed Lubrication: Science and Applications, D.Dowson et al. (Editors), Elsevier Science B.V., 2002, p247- Journal Article, 2002

J. Corish and D.A. Morton-Blake, A molecular study of ion migration in a doped electroactive polymers, Rad. Effects and Defects in Solids, 157, (6-12), 2002, p805 - 821 Journal Article, 2002 URL DOI

Xie, H., O'Dwyer, S., Corish, J., Morton-Blake, D.A. , The thermochromism of poly(3-alkylthiophene)s: The role of the side chains, SYNTHETIC METALS, 122, (2), 2001, p287 - 296 Journal Article, 2001 URL DOI

O'Dwyer, S., Xie, H., Corish, J., Morton-Blake, D.A. , An atomistic simulation of the effect of pressure on conductive polymers, JOURNAL OF PHYSICS-CONDENSED MATTER, 13, (10), 2001, p2395 - 2410 Journal Article, 2001 URL DOI

S.O'Dwyer, H.-W.Xie, J.Corish and D.A.Morton-Blake, An atomistic simulation of the effect of pressure on conductive polymers, Journal of Physics: Condensed Matter , 13, 2001, p2395- Journal Article, 2001

H.-W.Xie, J.Corish, D.A.Morton-Blake and K.Aasmundtveit, Thermochromic distortions in a poly(alkylthiophene): an atomistic simulation investigation, Synthetic Metals, 113, 2000, p65- Journal Article, 2000

Corish, J., Morton-Blake, D.A. , A molecular dynamics investigation of chain conformational changes in compressed bilayers, Molecular Simulation, 25, (6), 2000, p339 - 360 Journal Article, 2000 URL DOI

Xie, H., Corish, J., Morton-Blake, D.A. , Thermochromic distortions in a poly(3-alkylthiophene): An atomistic simulation investigation, SYNTHETIC METALS, 113, (1-2), 2000, p65 - 72 Journal Article, 2000 DOI URL

H.-W.Xie, S.O'Dwyer, J.Corish and D.A.Morton-Blake, 'The thermochromism of poly(alkylthiophene)s: the rôle of the side chains, Synthetic Metals , 122, 2000, p287- Journal Article, 2000

Xie, H. , Corish, J., Morton-Blake, D.A. , Aasmundtveit, K., Atomistic simulation of thermochromic distortions in poly(3-butylthiophene), RADIATION EFFECTS AND DEFECTS IN SOLIDS, 151, (1), 1999, p261 - 266 Journal Article, 1999 URL DOI

Xie, Hongwei., Corish, J., Ali, S.G., Morton-Blake, D.A. and Aasmundtveit K. , Lattice simulations of thermochromic distortions in poly(alkylthiophene)s, SYNTHETIC METALS, 101, (1-3), 1999, p318 - 319 Journal Article, 1999 DOI URL

Atomistic simulations of lubricated motion in, editor(s)J.V.Carstensen, T.Leffers, T.Lorentzen, O.B.Pedersen, B.F.Sørensen and G.Winther , Modelling of Structure and Mechanics of Materials from Microscale to Product, Roskilde, Denmark , Risø National Laboratory, Roskilde, 1998, pp229 - 234, [J.Corish and D.A.Morton-Blake] Book Chapter, 1998

J. Corish and D.A.Morton-Blake, An atomic scale simulation of lubricated motion, Molecular Simulation, 21, 1998, p41- Journal Article, 1998

J. Corish and D. A. Morton-Blake , An Atomic-Scale Simulation of Lubricated Motion , MOLECULAR SIMULATION, 21, (1), 1998, p41 - 66 Journal Article, 1998 URL DOI

M.Arthurs, J.C.Bickerton, G.Hogarth, D.A.Morton-Blake, G.Kubal, Substituted cyclopentadienyl compounds: V, Journal of Organometallic Chemistry, 571, 1998, p43- Journal Article, 1998

J. Corish D.E. Feeley, D.A. Morton-Blake, F. Bénière and M.Marchetti, 'Atomistic investigations of thermochromism in a poly(3-alkylthiophene), Journal of Physical Chemistry B, 101, 1997, p10075 - 10085 Journal Article, 1997

J.Corish, D.A. Morton-Blake, F. Béniêre, M.Lantoine and. M.Marchetti, , 'Atomistic Simulation Investigations of the Thermochromicity of Poly(3-alkylthiophene) lattices', Material Science Forum , Switzerland, Trans-Tech Publications, 1997, 239 - 241 Digital research resource production, 1997

Feargal O'Donoghue and D.A.Morton-Blake, An atomic simulation of inter-ring torsion in crystalline phenylene oligomers, Irish Universities Chemistry Research Colloquium, University of Limerick, October 1996, 1996 Conference Paper, 1996

Atomistic simulation investigations in, editor(s)M.E.G. Lyons , Electroactive Polymer Electrochemistry II, New York and London , Plenum Press, 1996, [D.A.Morton-Blake and J.Corish] Book Chapter, 1996

Kalyani Veluri, J.Corish, D.A.Morton-Blake and F.Bénière, 'An atomistic simulation of the migration of BF4- ions in doped polyacetylene, Journal of Molecular Structure (Theochem), 365, 1996, p13- Journal Article, 1996

D.A.Mac Dónaill and D.A.Morton-Blake, Polarization effects on aminoacid and peptide conformations, Philosophical Magazine B, 73, 1996, p139- Journal Article, 1996

Veluri, K. , Corish, J. , Morton-Blake, D.A. , Beniere, F., A lattice simulation of the migration of the BF4- ion in polythiophene and polypyrrole lattices, BRITISH JOURNAL OF CANCER, 365, (1), 1996, p13 - 19 Journal Article, 1996 DOI URL

Corish, J. , Morton-Blake, D.A., Beniere, F., Lantoine, M. , Interaction of side-chains in poly(3-alkylthiophene) lattices, JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 92, (4), 1996, p671 - 677 Journal Article, 1996 URL DOI

J. Corish, D.A. Morton-Blake, Kalyani Veluri and F. Bénière, Atomistic lattice simulations of dopant migration in planar- and helical chain- conductive polymers, Radiation Effects and Defects in Solids, 134, (1), 1995, p171 - 174 Journal Article, 1995

Kalyani Veluri, J. Corish, D.A. Morton-Blake and F. Bénière, A lattice investigation of the migration of chloride ions in doped polypyrrole and polythiophene, Journal of Molecular Structure (Theochem), 334, 1995, p109 - 120 Journal Article, 1995

Des Feeley and D.A. Morton-Blake, Host-dopant interactions and ion migration in alkali-metal-doped polyacetylene, Journal of Molecular Structure (Theochem), 331, 1995, p127 - 138 Journal Article, 1995

The simulation of solvent effects on the secondary structures of peptides in, Perspectives in Protein Engineering and Complementary Technologies. Third International Synposium, Birmingham, Mayflower Worldwide Ltd., 1995, pp39 - 40, [D.A. Mac Dónaill and D.A. Morton-Blake] Book Chapter, 1995

J. Corish, D.A. Morton-Blake, Kalyani Veluri and F. Bénière, An atomistic investigation of helical polythiophene, Molecular Simulation, 14, 1995, p381 - 394 Journal Article, 1995

J.Corish, D.A.Morton-Blake, F.O'Donoghue, J.L.Baudour, F. Bénière and B.Toudic, An atomistic simulation investigation of the inter-ring torsion in crystalline biphenyl, Journal of Molecular Structure (Theochem), 358, 1995, p29- Journal Article, 1995

G. Hogarth, M. Arthurs, J.C. Bickerton, L. Daly, C.Piper, D. Ralfe and D.A. Morton-Blake, Substituted cyclopentadienyl compounds: IV Nmr spectra of chloro-substituted cyclopentadienyl-rhodium-diene compounds and the crystal structure of (chlorocyclopentadienyl)-(2,3-dimethoxybutadiene) rhodium (i), Journal of Organometallic Chemistry , 467, 1994, p145 - 150 Journal Article, 1994

M. Arthurs, J.C. Bickerton, G.Kubal, J. O'Sullivan, C. Piper, G. Hogarth and D.A. Morton-Blake, Substituted cyclopentadienyl compounds: III An nmr and molecular orbital study of conformational preferences in some substituted cyclopentadienyl-rhodium-diene compounds and the crystal structure of (methanoylcyclopentadienyl)-(2,3-dimethoxybutadiene)rhodium (I), Journal of Organometallic Chemistry, 467, 1994, p135 - 143 Journal Article, 1994

Kalyani Veluri, J. Corish, D.A. Morton-Blake and F. Bénière, Simulation studies on pristine and doped lattices of polypyrrole and polythiophene: An investigation of dopant migration in the lattice regions, Irish Universities' Research Colloquium, University of Cork, University of Cork, 1993 Conference Paper, 1993

J. Corish, D.A. Morton-Blake and Kalyani Veluri, Atomistic simulation investigations of electroactive polymers, The Polymer Conference, Robinson College, University of Cambridge, July 1993, 1993 Conference Paper, 1993

Kalyani Veluri, J. Corish, D.A. Morton-Blake and F. Bénière, Simulation studies on pristine and doped lattices of polypyrrole and polythiophene: An investigation of dopant migration in the lattice regions, Irish Universities' Research Colloquium, University of Cork, University of Cork, 1993, 1993 Conference Paper, 1993

T.J. McNally and D.A. Morton-Blake, Investigations of the interaction between charged and dopant-associated defects in some conjugated polymers, The Polymer Conference, Robinson College, University of Cambridge, July 1993, 1993 Conference Paper, 1993

J. Corish, D.A. Morton-Blake, Kalyani Veluri and F. Bénière, Journal of Molecular Structure (Theochem) , 283, 1993, p121 - 134 Journal Article, 1993

J. Corish, D.A. Morton-Blake, Kalyani Veluri, V.C.A. Hanratty and F. Bénière, The atomistic simulation of dopant migration in polyacetylene, 'Conducting polymers' conference, University of Oxford, March 1992, 1992 Conference Paper, 1992

J. Corish, V.C.A. Hanratty, D.A. Morton-Blake and F. Bénière, Host-dopant interactions in ion-dpoed polymers, Molecular Simulation, 9, 1992, p65 - 79 Journal Article, 1992

D.A. Morton-Blake and M.E. Mura, Polarizability calculations in conjugated hydrocarbon chains, Synthetic Metals, 53, 1992, p37 - 46 Journal Article, 1992

J. Corish, D.A. Morton-Blake, Kalyani Veluri, V.C.A. Hanratty and F. Bénière, Atomistic lattice simulation of ion-doped conducting polymers, International Polymer Modelling Conference, University of Reading, September 1992, 1992 Conference Paper, 1992

Atomistic simulation investigations of defects in lattices of doped conducting polymers in, editor(s)O. Kanert and J.M. Spaeth , Defects in insulating materials 2, Singapore, World Scientific , 1992, pp890 - 892, [J. Corish, D.A. Morton-Blake, Kalyani Veluri, V.C.A. Hanratty and F. Bénière] Book Chapter, 1992

D.A. Morton-Blake and M.E. Mura, The calculation of molecular polarizabilities in long-chain polyenes, 'Conducting Polymers' conference, University of Oxford, March 1992, 1992 Conference Paper, 1992

M. Arthurs, C.Piper, D.A. Morton-Blake and M.G.B. Drew, Substituted cyclopentadienyl compounds: A molecular orbital study of ringslippage in some rhodium (I) derivatives and the x-ray structure of phenylcyclopentadienylbis(ethene) rhodium (I), Journal of Organometallic Chemistry , 429, 1992, p257 - 267 Journal Article, 1992

J. Corish, V.C.A Hanratty, D.A. Morton-Blake and F. Bénière, An electrostatic investigation of the motion of alkali metal cations through polyacetylene, Synthetic Metals, 39, 1991, p311 - 317 Journal Article, 1991

J. Corish, V.C.A. Hanratty, D.A. Morton-Blake and F. Bénière, The motion of ions in potassium-doped polyacetylene, Radiation Effects and Defects in Solids, 119, (2), 1991, p499 - 507 Journal Article, 1991

J. Corish, V.C.A. Hanratty, D.A. Morton-Blake, F. Bénière and A. Morin , Atomistic simulation calculations on the structures of conducting polymers. Part II: Doped polyacetylene and polyacetylene, Journal of Molecular Structure (Theochem), 207, 1990, p53 - 65 Journal Article, 1990

J. Corish, V.C.A. Hanratty, D.A. Morton-Blake, F. Bénière and A. Morin, Atomistic simulation calculations on the structures of conducting polymers. Part I: Pristine polyacetylene and polyacetylene, Journal of Molecular Structure (Theochem), 207, 1990, p41 - 51 Journal Article, 1990

D.A. Morton-Blake, An electrostatic investigation of alkali-metal-doped polyacetylene, Synthetic Metals, 35, 1990, p281 - 293 Journal Article, 1990

D.A. Morton-Blake, Interatomic potentials in conducting polymer systems, Molecular Simulation, 4, 1990, p285 - 291 Journal Article, 1990

Mass transport in conducting polymers: An experimental and computer simulation study in, editor(s)H. Kuzmany, M. Mehring and S. Roth , Springer Series in Solid State Sciences 91, Berlin, Heidelberg, Springer Verlag, 1989, pp38 - 41, [A. Morin, M. Bénière, S. Pekker, F. Bénière, D.A. Morton-Blake, V.C.A. Hanratty and J. Corish] Book Chapter, 1989

J. Corish, F.Jugie, D.A. Morton-Blake, M.Leslie and F.Bénière, Lattice simulation investigations of the migration of lithium in lithium-intercalated graphite, Physical Review B, 41, 1988, p10870 - 10871 Journal Article, 1988

Morton-Blake, D.A. , Corish, J. , Bénière, F. , Lattice-simulation investigation of the migration of lithium in C6Li, Physical Review B , 37, (8), 1988, p4180 - 4187 Journal Article, 1988 DOI URL

J. Corish, V.C.A. Hanratty, D.A. Morton-Blake, A. Morin and F. Bénière, Etude de la migration des dopants dans le polyacétylène par simulation sur ordinateur, Jours de Electrochimie, Dijon, France 1987, 1987 Conference Paper, 1987

C.J. Cardin, D.J. Cardin, D.A. Morton-Blake, H. Parge and A. Roy, The crystal and molecular structure of [MCl(CPh=CM3)2(C2H5)2]: an unusual pi-interaction with the metals and molecular orbital calculations on model compounds, Dalton Transactions, 1987, p1641 - 1645 Journal Article, 1987

M. Arthurs, H.Karodia, M.Sedgewick, D.A. Morton-Blake, C.J. Cardin and H. Parge, A proton nmr, mass spectral and extended Hückel study of some olefin complexes of rhodium and iridium, Journal of Organometallic Chemistry, 291, 1985, p231 - 251 Journal Article, 1985

Morton-Blake, D.A. , Corish, J. , Beniere, F. , A molecular orbital study of the bonding in complexes of lithium with polynuclear aromatic hydrocarbons, Theoretica Chimica Acta , 68, (5), 1985, p389 - 405 Journal Article, 1985 URL DOI

D.A. Mac Dónaill and D.A. Morton-Blake, A calcuation of the relative protonation energies of amines in solution, Theoretica Chemica Acta, 65, 1984, p13 - 22 Journal Article, 1984

D.A. Morton-Blake, Changes in the band structure of a polymer on lowering the translational symmetry, Theoretica Chimica Acta, 61, 1982, p193 - 202 Journal Article, 1982

D.A. Morton-Blake, Periodic perturbations of a polymer, Theoretica Chimica Acta, 59, 1981, p213 - 227 Journal Article, 1981

D.A. Morton-Blake and N.R. Russell, A molecular orbital treatment of complex cations of magnesium and beryllium with acetonitrile, International Journal of Quantum Chemistry, 18, 1980, p1405 - 1413 Journal Article, 1980

D.A. Morton-Blake, The effect of symmetry lowering on the band structure of polyacetylene, International Journal of Quantum Chemistry, 18, 1980, p937 - 951 Journal Article, 1980

D.A. Morton-Blake, The perturbation of a polymer molecular orbital, Theoretica Chimica Acta, 56, 1980, p93 - 112 Journal Article, 1980

D.A. Morton-Blake, The effect of ring opening on the molecular orbitals of a cyclic polymer, Theoretica Chimica Acta, 51, 1979, p85 - 95 Journal Article, 1979

D.A. Morton-Blake, An appraisal of the McLachlan perturbation method to calculate spin densities, Proceedings of the Royal Irish Academy, 728, 1972, p403 - 413 Journal Article, 1972

D.A. Morton-Blake, Electron paramagnetic resonance of nickel acetate: irradiatio-induced spin pairing, Journal of Physical Chemistry, 74, 1970, p1508 - 1511 Journal Article, 1970

D.A. Morton-Blake, Electron paramagnetic resonance of cupric acetate: irradiation-induced spin pairing, Journal of Physical Chemistry, 73, 1969, p2964 - 2969 Journal Article, 1969

J.M. Barbour, D.A. Morton-Blake and A.L. Porte, Electron paramagnetic resonance of Cu(2+) in dibarium zinc formate tetrahydrate, Journal of the Chemical Society A, 1968, p878 - 884 Journal Article, 1968

A.P. Lane, D.A. Morton-Blake and D.S. Payne, Tervalent phosphorus-nitrogen chemistry: di(alkylamino)-phenylphosphines, Journal of the Chemical Society A, 1967, p1492 - 1498 Journal Article, 1967

T.H. Goodwin and D.A. Morton-Blake, An empirical determination of the Hückel parameter beta and of the C-C and C-H bond energies in aromatic hydrocarbons , Journal of the Chemical Society A , 1964, p615 - 618 Journal Article, 1964

T.H. Goodwin and D.A. Morton-Blake, A simple molecular orbital study of the beta - alpha- and p-bands in triphenylene, Theoretica Chimica Acta , 2, 1964, p75 - 83 Journal Article, 1964

T.H. Goodwin and D.A. Morton-Blake, The configuration of diphenyl in the crystalline and in the vapour state: a simple non-bonded H-H potential function, Theoretica Chimica Acta, 1, 1963, p458 - 462 Journal Article, 1963

T.H. Goodwin and D.A. Morton-Blake, LCAO-MO calculations on pyrene homologues, Tetrahedron Letters , 14, 1963, p901 - 904 Journal Article, 1963

Non-Peer-Reviewed Publications

Darren Leith and D.A. Morton-Blake, A molecular dynamics simulation of the structure and properties of a self-assembled monolayer formed from an amphiphilic polymer on a water surface, Chemistry Irish Students' Colloquium, University of Galway, April 2006 Conference Paper,


Last updated 24 August 2016 by School of Chemistry (Email).