(1) C R A Catlow and R A Jackson
‘Trapping and Solution of Fission Xe in UO2’
European Applied Research Reports, 5(6), 1333-1345 (1984)
(2) R A Jackson and C R A Catlow
‘Trapping and Solution of Fission Xe in UO2: Part 1. Single Gas Atoms and Solution from Underpressurised Bubbles’
J. Nucl. Mater., 127, 161-166 (1985)
(3) R A Jackson and C R A Catlow
‘Trapping and Solution of Fission Xe in UO2: Part 2. Solution from Small Overpressurised Bubbles’
J. Nucl. Mater., 127, 167-169 (1985)
(4) R A Jackson, A D Murray and C R A Catlow
‘Calculation of the Basic Defect Energies of UO2’
Physica B, 131, 136-138 (1985)
(5) R A Jackson, A D Murray and C R A Catlow
‘Theoretical Studies of the Point Defect Properties of UO2’
Ann. Chem. Fr., 10, 227-237 (1985)
(6) R A Jackson, A D Murray, J H Harding and C R A Catlow
‘The Calculation of Basic Defect Parameters in UO2’
Phil. Mag. A, 53, 27-50 (1986)
(7) R A Jackson, P Barnes and C R A Catlow
‘Computer Simulation of Hydrated Minerals’ in ‘Water and Aqueous Solutions‘
(eds G W Neilson and J E Enderby), 313-320 (1986) (Adam Hilger, Bristol)
(8) G Aloisi, R Guidelli, R A Jackson, S M Clarke and P Barnes
‘The Structure of Water at a Neutral Interface’
J. Electroanal. Chem., 206, 131-137 (1986)
(9) G Aloisi, R Guidelli, R A Jackson and P Barnes
‘A New Method to determine the Interfacial Tension in Monte Carlo Simulations’
Chem. Phys. Lett., 133, 343-346 (1987)
(10) R A Jackson, C R A Catlow and A D Murray
‘Point Defect Calculations on UO2’
J. Chem. Soc. Far. Trans. 2, 83, 1171-1176 (1987)
(11) R A Jackson and C R A Catlow
‘Computer Simulation Studies of Zeolite Structure’
Mol. Sim., 1, 207-224 (1988)
(12) G Ooms, R A van Santen, R A Jackson and C R A Catlow
‘The Relative Stability of Zeolite Frameworks’
Stud. Surf. Sci. Catal., 37, 317-322 (1988)
(13) C R A Catlow, C M Freeman, M S Islam, R A Jackson, M Leslie and S M Tomlinson
‘Interatomic Potentials for Oxides’
Phil. Mag. A., 58, 123-136 (1988)
(14) G Ooms, R A van Santen, C J J den Ouden, R A Jackson and C R A Catlow
‘The Relative Stabilities of Zeolitic Aluminosilicates’
J. Phys. Chem., 92, 4462-4465 (1988)
(15) C R A Catlow, P A Cox, R A Jackson, S C Parker, G D Price, S M Tomlinson and R Vetrivel
‘Industrial Applications of Simulation Studies in Solid State Chemistry’
Mol. Sim., 3, 46-69 (1989)
(16) C J J den Ouden, B Smit, A F H Wielers, R A Jackson and A K Nowak
‘Computer Simulations in Zeolite Catalysis Research’
Mol. Sim., 4, 121-136 (1989)
(17) C R A Catlow, B W H van Beest, A J M de Man, R A Jackson and R A van Santen
‘Rigid Ion and Shell Model Calculations of IR Spectra of Zeolitic Silica Polymorphs’
Stud. Surf. Sci. Catal., 49B, 763-771 (1989)
(18) R A Jackson, R G Bell and C R A Catlow
‘Computer Simulation Studies of Zeolite Structure and Stability’
Stud. Surf. Sci. Catal., 52, 203-208 (1989)
(19) C R A Catlow, R A Jackson and B Vessal
‘Modelling of Inorganic Crystals and Glasses using Many-Body Potentials’
in ‘Atomistic Simulation of Matter : beyond Pair Potentials‘, (eds V Vitek and D J Srolovitz), 167-180 (1989) (Plenum)
(20) C R A Catlow, R A Jackson and J M Thomas
‘Computational Studies of Solid Oxidation Catalysts’
J. Phys. Chem., 94, 7889-7893 (1990)
(21) S M Tomlinson, R A Jackson and C R A Catlow
‘A Computational Study of Zeolite Beta’
J. Chem. Soc. Chem. Commun ., 813-816 (1990)
(22) J D Gale, A K Cheetham, R A Jackson, C R A Catlow and J M Thomas
‘Computing the Structure of Pillared Clays’
Adv. Mater., 2, 487-490 (1990)
(23) G Aloisi, P Barnes, C R A Catlow, R A Jackson and A J Richards
‘A New Method for determining Water-Cation Short-Range Potentials for modelling Water in Aluminosilicate Lattices’
J. Chem. Phys., 93, 3573-3577 (1990)
(24) C J J den Ouden, R A Jackson, C R A Catlow and M F M Post
‘Location of Ni2+ Ions in Siliceous Mordenite: a Computational Approach’
J. Phys. Chem., 94, 5286-5290 (1990)
(25) R G Bell, R A Jackson and C R A Catlow
‘Computer Simulation of the Monoclinic Distortion in Silicalite’
J. Chem. Soc. Chem. Commun., 782-783 (1990)
(26) R A Jackson
‘Computer Simulation of Inorganic Materials’
in: ‘Computer Modelling of Fluids, Polymers and Solids‘ (eds C R A Catlow, S C Parker and M P Allen)
NATO ASI Series C, 293, 395-404 (1990)
(27) S Miller, D Fincham, R A Jackson and P J Mitchell
‘Transputer Molecular Dynamics with Electrostatic Forces’
in: ‘Applications of Transputers 2‘ (eds D J Pritchard and C J Scott) 264-271 (1990)
(28) R A Jackson, C R A Catlow and J M Thomas
‘The Catalytic Activity of Zinc Chromate’
Catalysis Letters, 8, 385-390 (1991)
(29) T S Bush, A V Chadwick, C R A Catlow, G N Greaves and R A Jackson
‘Structure in Rare-Earth Doped beta”-Alumina’
Rad. Eff. Def. Sol., 119-121, 487 – 492 (1991)
(30) R A Jackson, J E Huntington and R G J Ball
‘Defect Calculations beyond the Dilute Limit’
J. Mater. Chem., 1, 1079-1080 (1991)
(31) A Pavesi, M Catti, G D Price and R A Jackson
‘Interatomic Potentials for CaCO3 Polymorphs (Calcite and Aragonite), fitted to Elastic and Vibrational Data’
Phys. Chem. Minerals, 19, 80-87 (1992)
(32) R A Jackson, S C Parker and P Tschaufeser
‘Lattice Energy and Free Energy Minimisation of Zeolites’,
in: ‘Modelling of Structure and Reactivity in Zeolites‘ (ed C R A Catlow), chapter 3, 43-61 (1992) (Academic Press)
(33) R A Jackson and G D Price
‘A Transferable Interatomic Potential for Calcium Carbonate’
Mol. Sim., 9, 175-177 (1992)
(34) R G Bell, R A Jackson and C R A Catlow
‘Lowenstein’s Rule in Zeolite A: A Computational Study’
Zeolites, 12, 870-871 (1992)
(35) R G Bell, R A Jackson and C R A Catlow
‘Computer Modelling of Microporous Solids’
in: Proceedings from the Ninth International Zeolite Conference, Montreal 1992, 1,
(eds R von Ballmoos, J B Higgins, and M M J Treacy), 703-708 (1993)
(36) M E G Valerio, J F de Lima, A R Blak and R A Jackson
‘Defect Simulations in CaF2 with AlF3, YbF3 and LaF3’
in Defects in Insulating Materials, 2, (eds O Kanert and J-M Spaeth), 786-791 (1993) (World Scientific)
(37) D Brennan, R G Bell, C R A Catlow and R A Jackson
‘The Computer Modelling of Lanthanum in the Framework of Faujasite. Part I, Anhydrous Lanthanum Zeolite’
Zeolites, 14(8), 650-659 (1994)
(38) D Brennan, C R A Catlow and R A Jackson
‘The Computer Modelling of Lanthanum in the Framework of Faujasite. Part II, Hydrated Lanthanum Zeolite-Y’
Zeolites, 14(8), 660-674 (1994)
(39) R A Jackson, P Meenan, D Pugh, K J Roberts, G B Telfer and P J Wilde
‘Derivation of Interatomic Force-Fields for Alkali Perchlorates and their Application to Morphological Modelling’
The 1994 IChemE Research Event, 2, 698-700 (1994)
(40) M J Akhtar, Z N Akhtar, R A Jackson and C R A Catlow
‘Computer Simulation of Strontium Titanate’
J. Amer. Cer. Soc ., 78(2), 421-428 (1995)
(41) R A Jackson
‘Computer Modelling of Defects in Solids’
Pesq. Desenv. tecnol., 19, 6-8 (1995)
(42) R A Jackson
‘Computer Modelling of Molecular Ionic Materials’
Pesq. Desenv. tecnol., 19, 9-10 (1995)
(43) M E G Valerio, J F de Lima and R A Jackson
‘Defects Induced by Divalent Impurities in BaLiF3’
Pesq. Desenv. tecnol., 19, 11-13 (1995)
(44) R A Jackson, G D Price, P Meenan, K J Roberts, G B Telfer and P J Wilde
‘Deriving Empirical Potentials for Molecular Ionic Materials’
Mineralogical Magazine, 59, 617-622 (1995)
(45) K Wright and R A Jackson
‘Computer Simulation of Zinc Sulphide: Derivation of Potentials and Calculation of Defect Properties’
J. Mater.Chem., 5(11), 2037-2040 (1995)
(46) R A Jackson, P Meenan, K J Roberts, G B Telfer and P J Wilde
‘The Determination of a Transferable Interatomic Potential for Alkali Perchlorates and an Application to Morphological Modelling’
J. Chem. Soc. Faraday Transactions, 91(22), 4133-4138 (1995)
(47) R A Jackson, J E Huntington and R G J Ball
‘Computer Simulation of Uranium Oxide Phases’
Rad. Eff. Def. Sol., 134, 161-164 (1995)
(48) Y M Channon, C R A Catlow, R A Jackson and S L Owens
‘Loading and Location of Water Molecules in the Zeolite Clinoptilolite’
Stud. Surf. Sci. Catal., 97, 117-124 (1995)
(49) G B Telfer, P J Wilde, R A Jackson, P Meenan and K J Roberts
‘Potential Fitting to Molecular Ionic Materials’
Phil. Mag. B, 73(1), 147-152 (1996)
(50) G Heide, H Follner, R A Jackson and P J Wilde
‘The Nature of One-sided Intergrowths on the (001) Surface of Triclinic Centrosymmetric K2Cr2O7. Part II’
Crystal Research and Technology, 31(8), 959-967 (1996)
(51) R A Jackson, M E G Valerio and J F de Lima
‘Computer Modelling of BaLiF3: I. Interionic potentials and intrinsic defects’
J. Phys. Condensed Matter, 8, 10931-10937 (1996)
(52) D A Green, R L Harlow, P Meenan, D C Robertson, G B Telfer, K J Roberts, R A Jackson and P J Wilde
‘Characterisation of Crystal Structure/Morphology Relationships’
In: Proceedings of The 5th World Congress of Chemical Engineering, San Diego, USA, , 5, 692 – 697 (1996)
(53) G W Watson, P Tschaufeser, A Wall, R A Jackson and S C Parker
‘Lattice Energy and Free Energy Minimisation Techniques’
in Computer Modelling in Inorganic Crystallography (ed C R A Catlow)
chapter 3, 55-81 (1997) (Academic Press)
(54) G B Telfer, J D Gale, K J Roberts, R A Jackson, P J Wilde and P Meenan
‘A Transferable Interatomic Potential for Alkali Chlorates and Bromates’
Acta Cryst., A53, 415-420 (1997)
(55) M E G Valerio, R A Jackson and J F de Lima
‘Computer Modelling of BaLiF3: II. Defects produced by divalent dopants’
J. Phys. Condensed Matter, 10(15), 3353-3358 (1998)
(56) Y M Channon, C R A Catlow, A M Gorman and R A Jackson
‘A Grand Canonical Monte Carlo Investigation of Water Adsorption in Heulandite-Type Zeolites’
J. Phys. Chem. B, 102(21), 4045-4048 (1998)
(57) G Clydesdale, K J Roberts, G B Telfer, V R Saunders, D Pugh, R A Jackson and P Meenan
‘Prediction of the Polar Morphology of Sodium Chlorate using Surface-specific Attachment Energy Calculations’
J. Phys. Chem. B, 102(36), 7044-7049 (1998)
(58) F Azough, R Freer, K Wright and R A Jackson
‘A Computer Simulation Study of Point Defects in Diopside and the Self-diffusion of Mg and Ca by a Vacancy Mechanism’
Mineralogical Magazine, 62(5), 599-606 (1998)
(59) Y M Channon, C R A Catlow, R A Jackson and S L Owens
‘A Computational Investigation into the Effect of Extra Framework Cations on the Structural Composition of Heulandite-Type Zeolites’
Microporous and Mesoporous Materials, 24, 153-161 (1998)
(60) K J Roberts, G B Telfer, R A Jackson, P J Wilde and P Meenan
‘Morphological Modelling of Inorganic Particulates: Alkali Perchlorate Systems’
in: Proceedings of IChemE World Congress on Particle Technology, Brighton, UK (1998)
(61) K A Mort, P J Wilde and R A Jackson
‘Computer Modelling of Ammonium Nitrate. 1. Development of potentials and calculation of lattice properties’
J. Phys. Condensed Matter, 11(20), 3967-3972 (1999)
(62) R A Jackson (ed)
Proceedings, 8th European Conference on Defects on Insulating Materials, Keele (1998)
Radiation Effects and Defects in Solids, 149-151, 1-1135 (1999)
(63) M E G Valerio, J F de Lima and R A Jackson
‘Computer Modelling of BaLiF3: III. Substitution of La3+, Nd3+ and Y3+ ions’
Radiation Effects and Defects in Solids, 151(1-4), 1061-1066 (1999)
(64) G Heide, H Follner, R A Jackson and P J Wilde
‘Computer Simulations of Crystal Growth Defects’
Radiation Effects and Defects in Solids, 151(1-4), 1129-1135 (1999)
(65) K A Mort, R A Jackson and P J Wilde
‘The Road to Ammonium Nitrate’
Abstr. Pap. Am. Chem. S. 217: U708-U708 Part 1 (Mar 21 1999)
(66) R A Jackson and K A Mort
‘Computer Modelling of Complex Molecular Ionic Materials’
Computational Materials Science, 17(2-4), 230-233 (2000)
(67) M E G Valerio, R A Jackson and J F de Lima
‘Derivation of Potentials for the Rare-earth Fluorides, and the Calculation of Lattice and Intrinsic Defect Properties’’
J. Phys. Condensed Matter, 12, 7727-7734 (2000)
(68) L S Barreto, K A Mort, R A Jackson and O L Alves
‘Computer Modelling of Alkali Metal Carboxylates’
J. Phys. Condensed Matter, 12, 9389-9394 (2000)
(69) R A Jackson, M E G Valerio and J F de Lima
‘Computer Modelling of Rare-Earth Dopants in BaLiF3’
J. Phys. Condensed Matter, 13, 2147-2154 (2001)
(70) R A Jackson, M E G Valerio and J F de Lima
‘Computer Modelling of Defects and Dopants in Barium Lithium Fluoride’
in Mass and Charge Transport in Inorganic Materials: Fundamentals to Devices
(eds P Vincenzini, V Buscaglia), vol.1 (2001) (Techna, Italy)
(71) R A Jackson
‘Potential Models for Calcium Carbonate’
http://preprint.chemweb.com/physchem/0107001
(72) R A Jackson
‘Computer Modelling of Molecular Ionic Materials’
Current Opinion in Solid State and Materials Science, 5, 463-467 (2001)
(73) R A Jackson, M E G Valerio and J F de Lima
‘Computer Modelling of Materials for Solid-State Laser Applications’
Radiation Effects and Defects in Solids, 154, 243-247 (2001)
(74) G E Rush, A V Chadwick, R A Jackson, M E G Valerio and J F de Lima
‘Ionic Transport in Barium Lithium Fluoride’
Radiation Effects and Defects in Solids, 155, 393-396 (2001)
(75) L S Barreto, K A Mort, R A Jackson and O L Alves
‘Molecular Dynamics Simulation of Anhydrous Lithium Acetate: Crystalline and Molten Phases’
Journal of Non-Crystalline Solids, 303, 281-290 (2002)
(76) L. Wondraczek, G. Heide, M. Kilo, N. Nedeljkovic, G. Borchardt and R A Jackson
‘Computer Simulation of Defect Structure in Sillimanite and Mullites’
Physics and Chemistry of Minerals, 29, 341-345 (2002)
(77) R A Jackson and M E G Valerio
‘A Computational Study of the Influence of Oxygen Incorporation on Crystal Growth and Contamination in BaLiF3’
Nuclear Instruments and Methods in Physics Research B, 191, 32-36 (2002)
(78) A L Braybrook, B R Heywood, R A Jackson and K Pitt
‘Parallel Computational and Experimental Studies of the Morphological Modification of Calcium Carbonate by Cobalt’
Journal of Crystal Growth, 243, 336-344 (2002)
(79) F A Wahid, G B Thomson, G M Graham and R A Jackson
‘A Computational Study of the Effect of doping Divalent Cations in Barite’
Journal of Materials Chemistry, 12, 3799-3802 (2002)
(80) L S Barreto, O L Alves and R A Jackson
‘Molecular Dynamics Simulations of the Structure and Properties of Lithium Acetate Glass’
Physics and Chemistry of Glasses, 43C, 119-23 (2002)
(81) R A Jackson, D F Plant, M E G Valerio and J B Amaral
‘Computer Modelling of Defects and Dopants in Mixed Metal Fluorides’
Radiation Effects and Defects in Solids, 157, 795-798 (2002)
(82) R A Jackson, G Heide and M E G Valerio
‘Computer Modelling of the Structure, Lattice and Defect Properties Of F- And OH-Topaz’
Radiation Effects and Defects in Solids, 157, 845-848 (2002)
(83) M Kilo, C Fundenberger, Ch. Argirusis, M A Taylor, G Borchardt, M Weller and R A Jackson
‘Experimental and Theoretical Investigation of Oxygen Diffusion in Stabilised Zirconia’
Radiation Effects and Defects in Solids, 157, 1077-1083 (2002)
(84) M A Couto dos Santos, M E G Valerio, R A Jackson and J F de Lima
‘Predicting the spectroscopic behaviour of Eu3+ in BaLiF3 via defect modelling and crystal field parameter calculations’
Chemical Physics Letters, 369 (1-2), 90-94 (2003)
(85) J B Amaral, D F Plant, M E G Valerio and R A Jackson
‘Computer modelling of defect structure and rare earth doping in LiCaAlF6 and LiSrAlF6’
J. Phys. Condensed Matter, 15, 2523-2533 (2003)
(86) M Kilo, Ch. Argirusis, G Borchardt and R A Jackson
‘Oxygen Diffusion in Yttria Stabilised Zirconia – Experimental Results and Molecular Dynamics Calculations’
Physical Chemistry Chemical Physics, 5(11), 2219-2224 (2003)
(87) M Kilo, M A Taylor, Ch Argirusis, G Borchardt, S Weber, H Scherrer and R A Jackson
‘Lanthanide diffusion in calcia stabilised zirconia: experimental and theoretical study’
Solid Oxide Fuel Cells VIII (SOFC VIII), Paris 2003, Electrochemical Society Proceedings, S.C. Singhal, M. Dokiya (Eds.), 2003, 214-221 (2003)
(88) M Kilo, G Borchardt and R A Jackson
‘Computer Modelling of Ion Migration in Zirconia’
Philosphical Magazine B, 83(29), 3309-3325 (2003)
(89) R A Jackson and M E G Valerio
‘Computer modelling of doping and ion implantation in F–/OH– topaz’
Nuclear Instruments and Methods in Physics Research B, 218C, 42-45 (2004)
(90) R A Jackson and M E G Valerio
‘Computer modelling of radiation generated defects in BGO scintillators’
Nuclear Instruments and Methods in Physics Research B, 218C, 145-147 (2004)
(91) J B Amaral, M E G Valerio, M A Couto dos Santos and R A Jackson
‘Defect simulation and crystal field studies of Ln3+: LiCaAlF6 and LiSrAlF6’
Nuclear Instruments and Methods in Physics Research B, 218C, 232-235 (2004)
(92) R A Jackson and M E G Valerio
‘A computational study of the structure, lattice and defect properties of F- and OH-topaz’
J. Phys. Condensed Matter, 16, S2771-S2779 (2004)
(93) R A Jackson, M E G Valerio, M A Couto dos Santos and J B Amaral
‘Computer modelling of the optical properties of doped mixed metal fluoride materials’
Advances in Science and Technology, 42-46 (2004)
(94) R A Jackson, M E G Valerio, M A Couto dos Santos and J B Amaral
‘Computer modelling of mixed metal fluorides for optical applications’
Dalton Transactions 19, 3098-3100 (2004)
(95) M Kilo, M A Taylor, C Argirusis, G Borchardt, S Weber, H Scherrer and R A Jackson
‘Lanthanide transport in stabilised zirconias: interrelation between ionic radius and diffusion coefficient’
Journal of Chemical Physics, 121 (11), 5482-5487 (2004)
(96) M Kilo, M A Taylor, C Argirusis, G Borchardt, R A Jackson, O Schulz, M Martin, M Weller
‘Modelling of cation diffusion in oxygen ion conductors using molecular dynamics’
Solid State Ionics, 175, 823–827 (2004)
(97) J B Amaral, A C Lewis, M E G Valerio and R A Jackson
‘Computer modelling of divalent, trivalent and tetravalent ion doping in LiCaAlF6 & LiSrAlF6’
Journal of Physics: Condensed Matter, 16, 8733-8741 (2004)
(98) R A Jackson, M E G Valerio, M A Couto dos Santos and J B Amaral
‘Computer modelling of the optical behaviour of rare earth dopants in BaY2F8’
Phys. Stat. Sol. (c), 2 (1), 476-480 (2005)
(99) M E G Valerio, R A Jackson and Z S Macedo
‘Modelling intrinsic defects and transport mechanisms in the bismuth germanate crystalline system’
Phys. Stat. Sol. (c), 2 (1), 485-489 (2005)
(100) R A Jackson and M E G Valerio
‘A new interatomic potential for the ferroelectric and paraelectric phases of LiNbO3’
Journal of Physics: Condensed Matter, 17, 837-843 (2005)
(101) J B Amaral, M A Couto dos Santos, M E G Valerio and R A Jackson
‘Computer modelling of BaY2F8: defect structure, rare earth doping and optical behaviour’
Applied Physics B, 81 (6), 841-846 (2005)
(102) R A Jackson, M E G Valerio, K Lengyel, and L Kovács
‘A new potential for lithium niobate and its application in the calculation of structure and defect properties’
12th International Symposium on Electrets (ISE 12), Proceedings 469–471 (2005)
(103) R M Araujo, K Lengyel, R A Jackson, L Kovács and M E G Valerio
‘A computational study of intrinsic and extrinsic defects in LiNbO3’
Journal of Physics: Condensed Matter, 19, 046211 (2007)
(104) A C S de Mello, G C Santana, R A Jackson, Z S Macedo, S G C Moreira and M E G Valerio
‘Optical properties of pure and Cr3+ doped BGO ceramic scintillators’
Phys. Stat. Sol. (c), 4 (3), 980-983 (2007)
(105) A N Blacklocks, A V Chadwick, R A Jackson and K B Hutton
‘Investigation into thallium sites and defects in doped scintillation crystals’
Phys. Stat. Sol. (c), 4 (3), 1008-1011 (2007)
(106) R A Jackson, M E G Valerio, J B Amaral, M A Couto dos Santos and E M Maddock
‘Computer modelling of the optical properties of rare-earth dopant metal fluorides’
Phys. Stat. Sol. (c), 4 (3), 1185-1188 (2007)
(107) R M Araujo, K Lengyel, R A Jackson, M E G Valerio and L Kovács
‘Computer modelling of intrinsic and substitutional defects in LiNbO3’
Phys. Stat. Sol. (c), 4 (3), 1201-1204 (2007)
(108) M E G Valerio, V G Ribeiro, A C S de Mello, M A C dos Santos, S L Baldochi, V L Mazzocchi, C B R Parente, R A Jackson and J B Amaral
‘Structural and optical properties of Nd- and Tb-doped BaY2F8’
Optical Materials 30, 184-187 (2007)
(109) R M Araujo, M E G Valerio, and R A Jackson
‘Computer modelling of trivalent metal dopants in lithium niobate’
Journal of Physics: Condensed Matter, 20, 035201 (2008)
(110) R A Jackson, E M Maddock and M E G Valerio
‘Computer modelling of doped mixed metal fluorides and oxides for device applications: rare earth, sodium and barium doped KYF4’
Nuclear Instruments and Methods in Physics Research B, 266 (12), 2715-2718 (2008)
(111) R B Hammond, M J Orley, K J Roberts, R A Jackson and M J Quayle
‘An examination of the influence of divalent cationic dopants on the bulk and surface properties of Ba (NO3)2 associated with crystallisation’
Crystal Growth and Design, 9 (6), 2588-2594 (2009)
(112) R A Jackson, J B Amaral, M E G Valerio, D P DeMille and E R Hudson
‘Computer modelling of thorium doping in LiCaAlF6 and LiSrAlF6: application to the development of solid state optical frequency devices
Journal of Physics: Condensed Matter 21, 325403 (2009)
(113) R A Jackson, J A Dawson, M E G Valerio and Z S Macedo
‘Computer modelling of Bi12TiO20: intrinsic defects, ion migration and rare earth ion incorporation’
Optical Materials 32, 1375–1376 (2010)
(114) M S D Read and R A Jackson
‘Derivation of enhanced potentials for Uranium Dioxide and the calculation of lattice and intrinsic defect properties’
Journal of Nuclear Materials 406, 293-303 (2010)
(115) E M Maddock, R A Jackson and M E G Valerio
‘Computer modelling of intrinsic defects and rare earth doping in KYF4, K2YF5 and KY3F10’
Journal of Physics: Conference Series 249 012040 (2010)
(116) M V dos S Rezende, R M Araujo, M E G Valerio and R A Jackson
‘Intrinsic Defects in Strontium Aluminates studied via Computer Simulation Technique’
Journal of Physics: Conference Series 249 012042 (2010)
(117) R A Jackson, E M Maddock and M E G Valerio
‘Computer modelling of rare earth dopants in KYF materials: bulk and surface studies’
IOP Conf. Series: Materials Science and Engineering 15 012014 (2010)
(118) R A Jackson, T E Littleford, G E Newby and D F Plant
‘Computer modelling of rare earth doping in BMF and YLF
IOP Conf. Series: Materials Science and Engineering 15 012048 (2010)
(119) W G Rellergert, S T Sullivan, D DeMille, R R Greco, M P Hehlen, R A Jackson, J R Torgerson, and E R Hudson
‘Progress towards fabrication of 229Th-doped high energy band-gap crystals for use as a solid-state optical frequency reference’
IOP Conf. Series: Materials Science and Engineering 15 012005 (2010)
(120) M V S Rezende, M E G Valerio and R A Jackson
‘Computer modelling of the reduction of rare earth dopants in barium aluminate’
J. Solid State Chemistry 184, 1903–1908 (2011)
(published online at: http://dx.doi.org/10.1016/j.jssc.2011.05.053)
(121) M V S Rezende, M E G Valerio and R A Jackson
‘Modelling the concentration dependence of rare earth doping in inorganic materials for optical applications: application to rare earth doped barium aluminate’
Optical Materials 34, 109-118 (2011)
(published online at: http://dx.doi.org/10.1016/j.optmat.2011.07.025)
(122) M V S Rezende, P J Montes, M E G Valerio, R A Jackson
‘The optical properties of Eu3+ doped BaAl2O4: a computational and spectroscopic study’
Optical Materials, 34(8), 1434-1439 (2012)
(published online at: http://dx.doi.org/10.1016/j.optmat.2012.02.050)
(123) T E Littleford, R A Jackson, M S D Read
‘An atomistic surface simulation study predicting morphologies and segregation in YLF’
Surface Science 606 1550–1555 (2012)
(published online at: http://dx.doi.org/10.1016/j.susc.2012.06.002)
(124) M P Hehlen, R R Greco, W G Rellergert, S T Sullivan, D DeMille, R A Jackson, E R Hudson, J R Torgerson
‘Optical spectroscopy of an atomic nucleus: Progress toward direct observation of the 229Th isomer transition’
Journal of Luminescence 133, 91-95 (2013)
(published online at: http://dx.doi.org/10.1016/j.jlumin.2011.09.037)
(125) T E Littleford, R A Jackson, M S D Read
‘Modelling rare-earth doped BaMgF4: a potential laser material’
Phys. Stat. Sol. C 10 (2) 153-155 (2013)
DOI 10.1002/pssc.201200455
(126) T E Littleford, R A Jackson, M S D Read
‘An atomistic simulation study of the effects of dopants on the morphology of YLiF4’
Phys. Stat. Sol. C 10 (2) 156-159 (2013)
DOI 10.1002/pssc.201200456
(127) J B Amaral, J R de Moraes, S L Baldochi, R A Jackson, M E G Valerio
‘Computer modelling of undoped and Eu3+-doped LiLa(WO4)2
Phys. Stat. Sol. C 10 (2) 165-167 (2013)
DOI 10.1002/pssc.201200510
(128) S R Walker, R A Jackson, M S D Read
‘Atomistic modelling of actinide oxides for nuclear fuel applications’
Phys. Stat. Sol. C 10 (2) 197-201 (2013)
DOI 10.1002/pssc.201200513
(129) P Dessovic, P Mohn, R A Jackson, G Winkler, M Schreitl, G Kazakov, T Schumm
‘229Thorium-doped calcium fluoride for nuclear laser spectroscopy’
Journal of Physics: Condensed Matter 26, 105402 (2014)
DOI 10.1088/0953-8984/26/10/105402
(130) M S D Read, S R Walker, R A Jackson
‘Derivation of enhanced potentials for plutonium dioxide and the calculation of lattice and intrinsic defect properties’
Journal of Nuclear Materials 448 (1-3), 20-25 (2014)
http://dx.doi.org/10.1016/j.jnucmat.2014.01.020
(131) K D Becker, S Ganschow, R Bertram, R A Jackson, H Fritze, P Fielitz, G Borchardt
‘Tantalum and niobium diffusion in single crystalline lithium niobate’
Solid State Ionics 259, 14-20 (2014)
http://dx.doi.org/10.1016/j.ssi.2014.02.005
(132) M Mujaji, J Burrows, R A Jackson
‘Optical spectroscopy of the Nd3+ and Nd3+ – Gd3+/Yb3+ centres in BaF2 single crystals and calculations on lanthanide-doped BaF2’
Journal of Luminescence 151, 106-110 (2014)
http://dx.doi.org/10.1016/j.jlumin.2014.02.011
(133) M P Hehlen, W L Boncher, S D Melgaard, M W Blair, R A Jackson, T E Littleford,
S P Love
‘Preparation of high-purity LiF, YF3, and YbF3 for laser refrigeration’
Proc. SPIE 9000, Laser Refrigeration of Solids VII, 900004 (February 19, 2014)
doi:10.1117/12.2039547
(134) R M Araujo, M E G Valerio, R A Jackson
‘Computer simulation of metal co-doping in lithium niobate’
Proc. R. Soc. A 470, 20140406 (2014)
doi: 10.1098/rspa.2014.0406
(135) M V S Rezende, M E G Valerio, R A Jackson
‘Study of Eu3+→ Eu2+ reduction in BaAl2O4:Eu prepared in different gas atmospheres’
Materials Research Bulletin 61, 348-351 (2014)
(136) A J Jeffery, R Gertisser, R A Jackson, B O’Driscoll, A Kronz
‘A new occurrence of dalyite, K2ZrSi6O15 from Terceira, Azores’
Volcanic and Magmatic Studies Group Meeting (2015)
(137) R A Jackson, M E G Valerio
‘Modelling the concentration dependence of doping in optical materials’
IOP Conf. Series: Materials Science and Engineering 80, 012010 (2015)
doi: 10.1088/1757-899X/80/1/012010
(138) M V S Rezende, J B Amaral, M E G Valerio, R A Jackson
‘Optical properties of Pr and Eu-doped SrAl12O19: a theoretical study’
Optical Materials 48, 105-109 (2015)
http://dx.doi.org/10.1016/j.optmat.2015.07.032
(139) P Fielitz, G Borchardt, R A Jackson
‘Host anion and cation diffusion in lithium niobate at high temperatures’
Ann. Chim. Sci. Mat. 39 (3-4), 217-224 (2015)
doi:10.3166/acsm.39.217-224
(140) M V S Rezende, D J Santos, R A Jackson, M EG Valerio, Z S Macedo
‘Atomistic simulation and XAS investigation of Mn induced defects in Bi12TiO20’
Journal of Solid State Chemistry 238, 210–216 (2016)
http://dx.doi.org/10.1016/j.jssc.2016.03.029
(141) A J Jeffery, R Gertisser, R A Jackson, B O’Driscoll, A Kronz
‘On the compositional variability of dalyite, K2ZrSi6O15: a new occurrence from Terceira, Azores’.
Mineralogical Magazine 80 (4), 547–565 (2016)
(142) R A Jackson, L A Kavanagh, R A Snelgrove
‘Computer modelling of double doped SrAl2O4 for phosphor applications’
IOP Conf. Ser.: Mater. Sci. Eng. 169, 012004 (2017)
https://doi.org/10.1088/1757-899X/169/1/012004
(143) M E G Valerio, R A Jackson, F G Bridges
‘EXAFS simulations in Zn-doped LiNbO3 based on defect calculations’
IOP Conf. Ser.: Mater. Sci. Eng. 169 012003 (2017)
https://doi.org/10.1088/1757-899X/169/1/012003
(144) R M Araujo, M E G Valerio, R A Jackson
‘Computer Modelling of Hafnium Doping in Lithium Niobate’
Crystals 8 123 (2018)
doi:10.3390/cryst8030123
(145) G F da C Bispo, R A Jackson, M E G Valerio
‘Modelling of Intrinsic Defects in CaYAl3O7’
Acta Physica Polonica A 133(4), 781-784 (2018)
doi: 10.12693/APhysPolA.133.781
(146) M V S Rezende, P J R Montes, M E G Valerio, R A Jackson
‘A computational and spectroscopic study of Dy3+ doped BaAl2O4 phosphors’
Optical Materials 83, 328-332 (2018)
https://doi.org/10.1016/j.optmat.2018.06.039
(147) G F da C Bispo, R A Jackson, Z S Macedo, M E G Valerio
‘Ln3+ doping in CaYAl3O7 and luminescence concentration quenching studied via a new computer modelling strategy’
Optical Materials, 92, 212-216 (2019)
doi: 10.1016/j.optmat.2019.04.036.
(148) R A Jackson, M Montenari
‘Computer modelling of Zircon (ZrSiO4)—Coffinite (USiO4) solid solutions and lead incorporation: Geological implications’
Stratigraphy & Timescales, 4, 217-227 (2019)
https://doi.org/10.1016/bs.sats.2019.08.005
(149) N C Gatsi, M Mujaji, D Wamwangi, R A Jackson
‘Site-selective laser spectroscopy and defect configurations of the Nd3+-Li+ centres in ZnO powders’
Journal of Alloys and Compounds, 817, 153306 (2020)
https://doi.org/10.1016/j.jallcom.2019.153306
(150) R M Araujo, E F dos S Mattos, M E G Valerio, R A Jackson
‘Computer simulation of the incorporation of V2+, V3+, V4+, V5+ and Mo3+, Mo4+, Mo5+, Mo6+ dopants in LiNbO3’
Crystals, 10 (6), 457 (2020)
doi:10.3390/cryst10060457
(151) M V S Rezende, C W A Paschoal, M E G Valerio, R A Jackson
‘Computer modelling of Bi12SiO20 and Bi4Si3O12: intrinsic defects and rare earth ion incorporation’
Journal of Solid State Chemistry 292, 121608 (2020)
https://doi.org/10.1016/j.jssc.2020.121608
(152) E B V Freire, A L de S Santos, G F da C Bispo, M A Gomes, Z S Macedo, R A Jackson, M E G Valerio
‘Intrinsic defects and non-stoichiometry in undoped cadmium silicate hosts’
Journal of Alloys and Compounds, 857, 157580 (2021)
(153) R A Jackson
‘Einsteinium: 100 years after Einstein’s Nobel Prize, researchers reveal chemical secrets of element that bears his name’
https://theconversation.com/einsteinium-100-years-after-einsteins-nobel-prize-researchers-reveal-chemical-secrets-of-element-that-bears-his-name-154447
(154) R M Araujo, E F dos S Mattos, B F dos Santos Jr, M V S Rezende, M E G Valerio, R A Jackson
‘Optical spectroscopy study of Eu-doped ions in BaAl2O4 phosphors’
Journal of Luminescence, https://doi.org/10.1016/j.jlumin.2021.118011.
(155) R A Jackson
‘Geometrically baffling ‘quasicrystals’ found in the debris of the first-ever nuclear blast’
https://theconversation.com/geometrically-baffling-quasicrystals-found-in-the-debris-of-the-first-ever-nuclear-blast-161934
(156) N D Wood, D M Teter, J S Tse, R A. Jackson, D J Cooke, L J Gillie, S C Parker, M Molinari
‘An atomistic modelling investigation of the defect chemistry of SrTiO3 and its Ruddlesden-Popper phases’
Journal of Solid State Chemistry, 303, 122523 (2021)
https://doi.org/10.1016/j.jssc.2021.122523
(157) J L O Lucena, B R Mesquita, R D S Santos, A M Otsuka M A Couto, M V S Rezende, R A Jackson
‘Computer modelling of RbCdF3: Structural and mechanical properties under high pressure, defect disorder and spectroscopic study’
Journal of Solid State Chemistry, 312, 123173 (2022)
(158) G F C Bispo, D S Nascimento, L B Santana, G S Ferreira, Z S Macedo, H R B R Lima, S O Souza, F d’Errico, R A Jackson, M E G Valerio
‘Defects in MgB4O7 (pure and doped with lanthanides): A case study using a computational modelling approach’
Physica B 640 414049 (2022)
(159) R A Jackson, M E G Valerio
‘Computer Modelling of Intrinsic Defects and Th Incorporation in MgF2: What we can learn from Atomistic Modelling and DFT Approaches’
Phys.: Conf. Ser. 2298 012002 (2022)
(160) E B V Freire, A L de S Santos, G F C Bispo, Z S Macedo, R A Jackson, M E G Valerio
‘Effect of trivalent rare earth doping in cadmium silicates hosts: A theoretical study’
Physica Scripta 97 (12) (2022)
DOI 10.1088/1402-4896/aca228