Publication list for Stewart Clark

This is a static list which was last updated on 23rd January 2010, 13:16

  • 2009 Clark, SJ; Robertson, J, " Energy levels of oxygen vacancies in BiFeO3 by screened exchange", APPLIED PHYSICS LETTERS, Vol 94, Issue 2, Article No. 22902. (Details and Link to paper)

  • 2009 Gremaud, R; Lodziana, Z; Hug, P; Willenberg, B; Racu, AM; Schoenes, J; Ramirez-Cuesta, AJ; Clark, SJ; Refson, K; Zuttel, A; Borgschulte, A, " Evidence for hydrogen transport in deuterated LiBH4 from low-temperature Raman-scattering measurements and first-principles calculations", PHYSICAL REVIEW B, Vol 80, Issue 10, Article No. 100301. (Details and Link to paper)

  • 2009 Milman, V; Perlov, A; Refson, K; Clark, SJ; Gavartin, J; Winkler, B, " Structural, electronic and vibrational properties of tetragonal zirconia under pressure: a density functional theory study", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 21, Issue 48, Article No. 485404. (Details and Link to paper)

  • 2008 Palai, R; Katiyar, RS; Schmid, H; Tissot, P; Clark, SJ; Robertson, J; Redfern, SAT; Catalan, G; Scott, JF, " beta phase and gamma-beta metal-insulator transition in multiferroic BiFeO3", PHYSICAL REVIEW B, Vol 77, Issue 1, Article No. 14110. (Details and Link to paper)

  • 2008 Hintschich, SI; Rothe, C; King, SM; Clark, SJ; Monkman, AP, " The Complex Excited-state Behavior of a Polyspirobifluorene Derivative: The Role of Spiroconjugation and Mixed Charge Transfer Character on Excited-state Stabilization and Radiative Lifetime", JOURNAL OF PHYSICAL CHEMISTRY B, Vol 112, Issue 51, Page 16300-16306. (Details and Link to paper)

  • 2008 Xiong, K; Robertson, J; Clark, SJ, " Electronic defects in LaAlO3", MICROELECTRONIC ENGINEERING, Vol 85, Issue 1, Page 65-69. (Details and Link to paper)

  • 2007 Clark, SJ; Robertson, J, " Band gap and Schottky barrier heights of multiferroic BiFeO3", APPLIED PHYSICS LETTERS, Vol 90, Issue 13, Article No. 132903. (Details and Link to paper)

  • 2007 Jepsen, PU; Clark, SJ, " Precise ab-initio prediction of terahertz vibrational modes in crystalline systems", CHEMICAL PHYSICS LETTERS, Vol 442, Issue 4-6, Page 275-280. (Details and Link to paper)

  • 2007 Hinshelwood, RA; Huschtscha, LI; Melki, J; Stirzaker, C; Abdipranoto, A; Vissel, B; Ravasi, T; Wells, CA; Hume, DA; Reddel, RR; Clark, SJ, " Concordant epigenetic silencing of transforming growth factor-beta signaling pathway genes occurs early in breast carcinogenesis", CANCER RESEARCH, Vol 67, Issue 24, Page 11517-11527. (Details and Link to paper)

  • 2007 Xiong, K; Robertson, J; Clark, SJ, " Behavior of hydrogen in wide band gap oxides", JOURNAL OF APPLIED PHYSICS, Vol 102, Issue 8, Article No. 83710. (Details and Link to paper)

  • 2007 Geary, EAM; Yellowlees, LJ; Parsons, S; Pilia, L; Serpe, A; Mercuri, ML; Deplano, P; Clark, SJ; Robertson, N, " Influence of the R-substituents on the properties of [Ni(R(2)pipdt)(dmit)] complexes and crystal structure where R = CH2C6H5", DALTON TRANSACTIONS Issue 46, Page 5453-5459. (Details and Link to paper)

  • 2007 Soleilhavoup, A; Hampson, MR; Clark, SJ; Evans, JSO; Hodgkinson, P, " Using O-17 solid-state NMR and first principles calculation to characterise structure and dynamics in inorganic framework materials", MAGNETIC RESONANCE IN CHEMISTRY, Vol 45, Page S144-S155. (Details and Link to paper)

  • 2007 Robbins, AJ; Ng, WTK; Jochym, D; Keal, TW; Clark, SJ; Tozer, DJ; Hodgkinson, P, " Combining insights from solid-state NMR and first principles calculation: applications to the F-19 NMR of octafluoronaphthalene", PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol 9, Issue 19, Page 2389-2396. (Details and Link to paper)

  • 2007 Jochym, DB; Clark, SJ, " Exchange-correlation holes in metal surfaces using nonlocal density-functional theory", PHYSICAL REVIEW B, Vol 76, Issue 7, Article No. 75411. (Details and Link to paper)

  • 2007 Zheng, G; Clark, SJ; Brand, S; Abram, RA, " Non-local density functional description of poly-para-phenylene vinylene", CHINESE PHYSICS LETTERS, Vol 24, Issue 3, Page 807-810. (Details)

  • 2007 Shu, XH; Clark, SJ; Dodds, AW; Slingsby, F; Day, AJ; Sim, RB; Wright, AF, " C1QTNF5, which is mutated in late-onset retinal macular degeneration, interacts with complement factor H", MOLECULAR IMMUNOLOGY, Vol 44, Issue 1-3, Page 214. (Details and Link to paper)

  • 2006 Robertson, J; Xiong, K; Clark, SJ, " Band gaps and defect levels in functional oxides", THIN SOLID FILMS, Vol 496, Issue 1, Page 1-7. (Details and Link to paper)

  • 2006 Xiong, K; Robertson, J; Clark, SJ, " Passivation of oxygen vacancy states in HfO2 by nitrogen", JOURNAL OF APPLIED PHYSICS, Vol 99, Issue 4, Article No. 44105. (Details and Link to paper)

  • 2006 Moggach, SA; Allan, DR; Clark, SJ; Gutmann, MJ; Parsons, S; Pulham, CR; Sawyer, L, " High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV", ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, Vol 62, Page 296-309. (Details and Link to paper)

  • 2006 Robertson, J; Xiong, K; Clark, SJ, " Band structure of functional oxides by screened exchange and the weighted density approximation", PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, Vol 243, Issue 9, Page 2054-2070. (Details and Link to paper)

  • 2006 Refson, K; Tulip, PR; Clark, SJ, " Variational density-functional perturbation theory for dielectrics and lattice dynamics", PHYSICAL REVIEW B, Vol 73, Issue 15, Article No. 155114. (Details and Link to paper)

  • 2006 Xiong, K; Robertson, J; Clark, SJ, " Defect states in the high-dielectric-constant gate oxide LaAlO3", APPLIED PHYSICS LETTERS, Vol 89, Issue 2, Article No. 22907. (Details and Link to paper)

  • 2006 Xiong, K; Robertson, J; Clark, SJ, " Defect energy states in high-K gate oxides", PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, Vol 243, Issue 9, Page 2071-2080. (Details and Link to paper)

  • 2006 Gibbons, DW; Bohan, DA; Rothery, P; Stuart, RC; Haughton, AJ; Scott, RJ; Wilson, JD; Perry, JN; Clark, SJ; Dawson, RJG; Firbank, LG, " Weed seed resources for birds in fields with contrasting conventional and genetically modified herbicide-tolerant crops", PROCEEDINGS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES, Vol 273, Issue 1596, Page 1921-1928. (Details and Link to paper)

  • 2006 Heaton, RJ; Madden, PA; Clark, SJ; Jahn, S, " Condensed phase ionic polarizabilities from plane wave density functional theory calculations", JOURNAL OF CHEMICAL PHYSICS, Vol 125, Issue 14, Article No. 144104. (Details and Link to paper)

  • 2006 McGregor, PA; Allan, DR; Parsons, S; Clark, SJ, " Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)", ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, Vol 62, Page 599-605. (Details and Link to paper)

  • 2006 Tulip, PR; Clark, SJ, " Lattice dynamical and dielectric properties of L-amino acids", PHYSICAL REVIEW B, Vol 74, Issue 6, Article No. 64301. (Details and Link to paper)

  • 2006 Timon, V; Brand, S; Clark, SJ; Abram, RA, " Molecular dynamics calculations of the thermal expansion properties and melting points of Si and Ge", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 18, Issue 13, Page 3489-3498. (Details and Link to paper)

  • 2006 Zheng, G; Clark, SJ; Brand, S; Abram, RA, " Lattice dynamics of polyaniline and poly(p-pyridyl vinyline): First-principles determination", PHYSICAL REVIEW B, Vol 74, Issue 16, Article No. 165210. (Details and Link to paper)

  • 2006 Szablewski, M; Bloor, D; Kagawa, Y; Mosurkal, R; Cole, JM; Clark, SJ; Cross, GH; Palsson, LO, " Matrix dependence of blue light emission from a novel NH2-functionalized dicyanoquinodirriethane derivative", JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, Vol 19, Issue 3, Page 206-213. (Details and Link to paper)

  • 2006 Gibson, MC; Brand, S; Clark, SJ, " Screened-exchange stress tensor in density functional theory", PHYSICAL REVIEW B, Vol 73, Issue 12, Article No. 125120. (Details and Link to paper)

  • 2005 Clark, SJ; Segall, MD; Pickard, CJ; Hasnip, PJ; Probert, MJ; Refson, K; Payne, MC, " First principles methods using CASTEP", ZEITSCHRIFT FUR KRISTALLOGRAPHIE, Vol 220, Issue 5-6, Page 567-570. (Details)

  • 2005 Xiong, K; Robertson, J; Gibson, MC; Clark, SJ, " Defect energy levels in HfO2 high-dielectric-constant gate oxide", APPLIED PHYSICS LETTERS, Vol 87, Issue 18, Article No. 183505. (Details and Link to paper)

  • 2005 Dawson, A; Allan, DR; Belmonte, SA; Clark, SJ; David, WIF; McGregor, PA; Parsons, S; Pulham, CR; Sawyer, L, " Effect of high pressure on the crystal structures of polymorphs of glycine", CRYSTAL GROWTH & DESIGN, Vol 5, Issue 4, Page 1415-1427. (Details and Link to paper)

  • 2005 Moggach, SA; Clark, SJ; Parsons, S, " L-cysteine-I at 30 K", ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, Vol 61, Page O2739-O2742. (Details and Link to paper)

  • 2005 Staniland, SS; Fujita, W; Umezono, Y; Awaga, K; Camp, PJ; Clark, SJ; Robertson, N, " [BDTA](2)[Cu(mnt)(2)]: An almost perfect one-dimensional magnetic material", INORGANIC CHEMISTRY, Vol 44, Issue 3, Page 546-551. (Details and Link to paper)

  • 2005 Giblin, SR; Terry, I; Clark, SJ; Prokscha, T; Prabhakaran, D; Boothroyd, AT; Wu, J; Leighton, C, " Observation of magnetic excitons in LaCoO3", EUROPHYSICS LETTERS, Vol 70, Issue 5, Page 677-683. (Details and Link to paper)

  • 2005 Timon, V; Brand, S; Clark, SJ; Gibson, MC; Abram, RA, " First-principles calculations of 2x2 reconstructions of GaN(0001) surfaces involving N, Al, Ga, In, and As atoms", PHYSICAL REVIEW B, Vol 72, Issue 3, Article No. 35327. (Details and Link to paper)

  • 2005 Chisholm, JA; Motherwell, S; Tulip, PR; Parsons, S; Clark, SJ, " An ab initio study of observed and hypothetical polymorphs of glycine", CRYSTAL GROWTH & DESIGN, Vol 5, Issue 4, Page 1437-1442. (Details and Link to paper)

  • 2005 Tulip, PR; Clark, SJ, " Structural and electronic properties of L-amino acids", PHYSICAL REVIEW B, Vol 71, Issue 19, Article No. 195117. (Details and Link to paper)

  • 2005 Zheng, G; Clark, SJ; Tulip, PR; Brand, S; Abram, RA, " Ab initio dynamics study of poly-para-phenylene vinylene", JOURNAL OF CHEMICAL PHYSICS, Vol 123, Issue 2, Article No. 24904. (Details and Link to paper)

  • 2005 Staniland, SS; Fujita, W; Umezono, Y; Awaga, K; Clark, SJ; Cui, HB; Kobayashi, H; Robertson, N, " A unique new multiband molecular conductor: [BDTA][Ni(dmit)(2)](2)", CHEMICAL COMMUNICATIONS Issue 25, Page 3204-3206. (Details and Link to paper)

  • 2005 Gibson, MC; Clark, SJ; Brand, S; Abram, RA, " Screened exchange calculations of semiconductor band structures", Physics of Semiconductors, Pts A and B, Vol 772, Page 1125-1126. (Details)

  • 2005 Timon, V; Brand, S; Clark, SJ; Abram, RA, " Theoretical adlayer surface morphology of wurtzite 2x2 reconstructions of the GaN(0001) surface", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 17, Issue 1, Page 17-26. (Details and Link to paper)

  • 2005 Salinero, VT; Gibson, MC; Brand, S; Clark, SJ; Abram, RA, " First-principles calculations of 2x2 reconstructions of GaN surfaces", Physics of Semiconductors, Pts A and B, Vol 772, Page 373-374. (Details)

  • 2005 Clark, SJ; Wang, XQ; Abram, RA, " Structural and electronic properties of HgTe quantum dots", Physics of Semiconductors, Pts A and B, Vol 772, Page 589-590. (Details)

  • 2004 Smith, CE; Smith, PS; Thomas, RL; Robins, EG; Collings, JC; Dai, CY; Scott, AJ; Borwick, S; Batsanov, AS; Watt, SW; Clark, SJ; Viney, C; Howard, JAK; Clegg, W; Marder, TB, " Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans", JOURNAL OF MATERIALS CHEMISTRY, Vol 14, Issue 3, Page 413-420. (Details and Link to paper)

  • 2004 Chen, CW; Lee, MH; Clark, SJ, " Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field", NANOTECHNOLOGY, Vol 15, Issue 12, Page 1837-1843. (Details and Link to paper)

  • 2004 Zheng, G; Clark, SJ; Brand, S; Abram, RA, " First-principles studies of the structural and electronic properties of poly-para-phenylene vinylene", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 16, Issue 47, Page 8609-8620. (Details and Link to paper)

  • 2004 Cheung, DL; Clark, SJ; Wilson, MR, " Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation", JOURNAL OF CHEMICAL PHYSICS, Vol 121, Issue 18, Page 9131-9139. (Details and Link to paper)

  • 2004 Chen, CW; Lee, MH; Clark, SJ, " Field penetration induced charge redistribution effects on the field emission properties of carbon nanotubes - a first-principle study", APPLIED SURFACE SCIENCE, Vol 228, Issue 1-4, Page 143-150. (Details and Link to paper)

  • 2004 Tulip, PR; Clark, SJ, " Dielectric and vibrational properties of amino acids", JOURNAL OF CHEMICAL PHYSICS, Vol 121, Issue 11, Page 5201-5210. (Details and Link to paper)

  • 2004 Wang, XQ; Clark, SJ; Abram, RA, " Ab initio calculations of the structural and electronic properties of HgmTen clusters", PHYSICAL REVIEW B, Vol 70, Issue 23, Article No. 235328. (Details and Link to paper)

  • 2004 Chen, CW; Lee, MH; Clark, SJ, " Gas molecule effects on field emission properties of single-walled carbon nanotube", DIAMOND AND RELATED MATERIALS, Vol 13, Issue 4-8, Page 1306-1313. (Details and Link to paper)

  • 2004 Timon, V; Brand, S; Clark, SJ; Abram, RA, " Ab initio studies of strained wurtzite GaN surfaces", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 16, Issue 4, Page 531-542. (Details and Link to paper)

  • 2004 Clark, SJ; Rushton, PP, " Investigation on exchange and correlation holes in a strongly confined electron gas", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 16, Issue 28, Page 4833-4844. (Details and Link to paper)

  • 2003 Rushton, PP; Clark, SJ, " Demonstrating the effectiveness of a nonlocal density functional description of exchange and correlation", THEORY IN ATOMS, MOLECULES AND THE SOLID STATE, Vol 14, Page 169-183. (Details)

  • 2002 Segall, MD; Lindan, PJD; Probert, MJ; Pickard, CJ; Hasnip, PJ; Clark, SJ; Payne, MC, " First-principles simulation: ideas, illustrations and the CASTEP code", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 14, Issue 11, Page 2717-2744. (Details)

  • 2002 Collings, JC; Roscoe, KP; Robins, EG; Batsanov, AS; Stimson, LM; Howard, JAK; Clark, SJ; Marder, TB, " Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons", NEW JOURNAL OF CHEMISTRY, Vol 26, Issue 12, Page 1740-1746. (Details and Link to paper)

  • 2002 Rushton, PP; Tozer, DJ; Clark, SJ, " Nonlocal density-functional description of exchange and correlation in silicon", PHYSICAL REVIEW B, Vol 65, Issue 23, Article No. 235203. (Details and Link to paper)

  • 2002 Allan, DR; Clark, SJ; Dawson, A; McGregor, PA; Parsons, S, " Pressure-induced polymorphism in phenol", ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, Vol 58, Page 1018-1024. (Details and Link to paper)

  • 2002 Cheung, DL; Clark, SJ; Wilson, MR, " Parametrization and validation of a force field for liquid-crystal forming molecules", PHYSICAL REVIEW E, Vol 65, Issue 5, Article No. 51709. (Details and Link to paper)

  • 2002 Cheung, DL; Clark, SJ; Wilson, MR, " Calculation of the rotational viscosity of a nematic liquid crystal", CHEMICAL PHYSICS LETTERS, Vol 356, Issue 1-2, Page 140-146. (Details)

  • 2002 Rushton, PP; Tozer, DJ; Clark, SJ, " Description of exchange and correlation in the strongly inhomogeneous electron gas using a nonlocal density functional", PHYSICAL REVIEW B, Vol 65, Issue 19, Article No. 193106. (Details and Link to paper)

  • 2002 Allan, DR; Clark, SJ; Dawson, A; McGregor, PA; Parsons, S, " Comparison of the high-pressure and low-temperature structures of sulfuric acid", JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS Issue 8, Page 1867-1871. (Details and Link to paper)

  • 2001 Cronin, L; Clark, SJ; Parsons, S; Nakamura, T; Robertson, N, " Unique structural topologies involving metal-metal and metal-sulfur interactions: salts of [Ni(C3S5)(2)](x-) with cis-anti-cis-dicyclohexyl-18-crown-6 complexed counter ions", JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS Issue 8, Page 1347-1351. (Details and Link to paper)

  • 2001 Rushton, PP; Clark, SJ; Tozer, DJ, " Density-functional calculations of semiconductor properties using a semiempirical exchange-correlation functional", PHYSICAL REVIEW B, Vol 63, Issue 11, Article No. 115206. (Details)

  • 2001 King, EM; Clark, SJ; Verdozzi, CF; Ackland, GJ, " Interaction between metallic p orbitals and the pi orbitals of organic molecules: The binding between ethylene and aluminum", JOURNAL OF PHYSICAL CHEMISTRY B, Vol 105, Issue 3, Page 641-645. (Details and Link to paper)

  • 2001 Bloor, D; Kagawa, Y; Szablewski, M; Ravi, M; Clark, SJ; Cross, GH; Palsson, LO; Beeby, A; Parmer, C; Rumbles, G, " Matrix dependence of light emission from TCNQ adducts", JOURNAL OF MATERIALS CHEMISTRY, Vol 11, Issue 12, Page 3053-3062. (Details)

  • 2001 Al-Allak, HM; Clark, SJ, " Valence-band offset of the lattice-matched beta-FeSi2(100)/Si(001) heterostructure", PHYSICAL REVIEW B, Vol 63, Issue 3, Article No. 33311. (Details)

  • 2001 Ackland, GJ; Clark, SJ, " Ab initio molecular dynamics of liquid carbon disulphide", MOLECULAR PHYSICS, Vol 99, Issue 10, Page 855-863. (Details)

  • 2000 Allan, DR; Clark, SJ; Parsons, S; Ruf, M, " A high-pressure structural study of propionic acid and the application of CCD detectors in high-pressure single-crystal x-ray diffraction", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 12, Issue 39, Page L613-L620. (Details)

  • 2000 Clark, AR; Clark, SJ, " Rolling-horizon lot-sizing when set-up times are sequence-dependent", INTERNATIONAL JOURNAL OF PRODUCTION RESEARCH, Vol 38, Issue 10, Page 2287-2307. (Details)

  • 2000 Clark, SJ; Markwick, PRL; Ackland, GJ; Crain, J, " Short-time reorientational processes in molecular fluids", EUROPHYSICS LETTERS, Vol 49, Issue 1, Page 34-40. (Details)

  • 1999 Allan, DR; Clark, SJ, " Comparison of the high-pressure and low-temperature structures of ethanol and acetic acid", PHYSICAL REVIEW B, Vol 60, Issue 9, Page 6328-6334. (Details)

  • 1999 Allan, DR; Clark, SJ, " Impeded dimer formation in the high-pressure crystal structure of formic acid", PHYSICAL REVIEW LETTERS, Vol 82, Issue 17, Page 3464-3467. (Details)

  • 1999 Allan, DR; Clark, SJ; Ibberson, RM; Parsons, S; Pulham, CR; Sawyer, L, " The influence of pressure and temperature on the crystal structure of acetone", CHEMICAL COMMUNICATIONS Issue 8, Page 751-752. (Details)

  • 1998 Clark, SJ; Al-Allak, HM; Brand, S; Abram, RA, " Structure and electronic properties of FeSi2", PHYSICAL REVIEW B, Vol 58, Issue 16, Page 10389-10393. (Details)

  • 1998 Allan, DR; Clark, SJ; Brugmans, MJP; Ackland, GJ; Vos, WL, " Structure of crystalline methanol at high pressure", PHYSICAL REVIEW B, Vol 58, Issue 18, Page 11809-11812. (Details)

  • 1998 Allan, DR; Kelsey, AA; Clark, SJ; Angel, RJ; Ackland, GJ, " High-pressure semiconductor-semimetal transition in TiS2", PHYSICAL REVIEW B, Vol 57, Issue 9, Page 5106-5110. (Details)

  • 1998 Warren, MC; Ackland, GJ; Karki, BB; Clark, SJ, " Phase transitions in silicate perovskites from first principles", MINERALOGICAL MAGAZINE, Vol 62, Issue 5, Page 585-598. (Details)

  • 1998 Clark, SJ; Ackland, GJ; Crain, J, " Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB", EUROPHYSICS LETTERS, Vol 44, Issue 5, Page 578-584. (Details)

  • 1998 Adam, CJ; Clark, SJ; Wilson, MR; Ackland, GJ; Crain, J, " Transferability of first principles derived torsional potentials for mesogenic molecules and fragments", MOLECULAR PHYSICS, Vol 93, Issue 6, Page 947-954. (Details)

  • 1998 Kelsey, AA; Ackland, GJ; Clark, SJ, " Stability and electronic structure of the cinnabar phase in GaAs", PHYSICAL REVIEW B, Vol 57, Issue 4, Page R2029-R2032. (Details)

  • 1998 Hsueh, HC; Chen, RK; Vass, H; Clark, SJ; Ackland, GJ; Poon, WCK; Crain, J, " Compression mechanisms in quasimolecular XI3 (X = As, Sb, Bi) solids", PHYSICAL REVIEW B, Vol 58, Issue 22, Page 14812-14822. (Details)

  • 1998 Clark, SJ; Ackland, GJ; Crain, J, " Electronic structure calculations of liquid crystal molecules: Application to chiral solutes.", LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS, Vol3318, Page 166-170. (Details)

  • 1998 Adam, CJ; Clark, SJ; Crain, J, " Structure, dynamics and molecular properties of liquid crystals molecules and fragments from first principles computer simulations performed on Cray T3D", LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS, Vol3318, Page 171-174. (Details)

  • 1997 Karki, BB; Stixrude, L; Clark, SJ; Warren, MC; Ackland, GJ; Crain, J, " Structure and elasticity of MgO at high pressure", AMERICAN MINERALOGIST, Vol 82, Issue 1-2, Page 51-60. (Details)

  • 1997 Karki, BB; Stixrude, L; Clark, SJ; Warren, MC; Ackland, GJ; Crain, J, " Elastic properties of orthorhombic MgSiO3 perovskite at lower mantle pressures", AMERICAN MINERALOGIST, Vol 82, Issue 5-6, Page 635-638. (Details)

  • 1997 Ackland, GJ; Warren, MC; Clark, SJ, " Practical methods in ab initio lattice dynamics", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 9, Issue 37, Page 7861-7872. (Details)

  • 1997 Clark, SJ; Ackland, GJ, " Ab initio calculations of the self-interstitial in silicon", PHYSICAL REVIEW B, Vol 56, Issue 1, Page 47-50. (Details)

  • 1997 Adam, CJ; Clark, SJ; Ackland, GJ; Crain, J, " Conformation-dependent dipoles of liquid crystal molecules and fragments from first principles", PHYSICAL REVIEW E, Vol 55, Issue 5, Page 5641-5649. (Details)

  • 1997 Karki, BB; Clark, SJ; Warren, MC; Hsueh, HC; Ackland, GJ; Crain, J, " Ab initio elasticity and lattice dynamics of AgGaSe2", JOURNAL OF PHYSICS-CONDENSED MATTER, Vol 9, Issue 2, Page 375-380. (Details)

  • 1997 Clark, SJ; Adam, CJ; Ackland, GJ; White, J; Crain, J, " Properties of liquid crystal molecules from first principles computer simulation", LIQUID CRYSTALS, Vol 22, Issue 4, Page 469-475. (Details)

  • 1997 Clark, SJ; Crain, J; Ackland, GJ, " Comparison of bonding in amorphous silicon and carbon", PHYSICAL REVIEW B, Vol 55, Issue 21, Page 14059-14062. (Details)

  • 1997 Clark, SJ; Adam, CJ; Cleaver, DJ; Crain, J, " Conformational energy landscapes of liquid crystal molecules", LIQUID CRYSTALS, Vol 22, Issue 4, Page 477-482. (Details)

  • 1997 Hsueh, HC; Vass, H; Pu, FN; Clark, SJ; Poon, CK; Crain, J, " Low-frequency dynamics of liquid crystals", EUROPHYSICS LETTERS, Vol 38, Issue 2, Page 107-112. (Details)

  • 1997 Clark, SJ; Adam, CJ; Hsueh, HC; Pu, F; Crain, J, " Vibrational properties of liquid crystal molecules from ab initio computer simulation", A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS, Vol 302, Page 433-438. (Details)

  • 1997 Clark, SJ; Adam, CJ; Ackland, GJ; Crain, J, " Conformation energy surface for liquid crystal molecules from first principles: Application to 5CB", A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS, Vol 299, Page 39-&. (Details)

  • 1996 Hsueh, HC; Warren, MC; Vass, H; Ackland, GJ; Clark, SJ; Crain, J, " Vibrational properties of the layered semiconductor germanium sulfide under hydrostatic pressure: Theory and experiment", PHYSICAL REVIEW B, Vol 53, Issue 22, Page 14806-14817. (Details)

  • 1996 Maclean, J; Hatton, PD; Crain, J; Piltz, RO; Clark, SJ; Cernik, RJ, " Structural refinement and stability of silicon XII", EUROPEAN POWDER DIFFRACTION: EPDIC IV, PTS 1 AND 2, Vol 228, Page 595-599. (Details)

  • 1995 PILTZ, RO; MACLEAN, JR; CLARK, SJ; ACKLAND, GJ; HATTON, PD; CRAIN, J, " STRUCTURE AND PROPERTIES OF SILICON-XII - A COMPLEX TETRAHEDRALLY BONDED PHASE", PHYSICAL REVIEW B, Vol 52, Issue 6, Page 4072-4085. (Details)

  • 1995 CRAIN, J; ACKLAND, GJ; CLARK, SJ, " EXOTIC STRUCTURES OF TETRAHEDRAL SEMICONDUCTORS", REPORTS ON PROGRESS IN PHYSICS, Vol 58, Issue 7, Page 705-754. (Details)

  • 1995 Clark, SJ; Ackland, GJ; Crain, J, " Theoretical stability limit of diamond at ultrahigh pressure", PHYSICAL REVIEW B, Vol 52, Issue 21, Page 15035-15038. (Details)

  • 1995 HSUEH, HC; MACLEAN, JR; GUO, GY; LEE, MH; CLARK, SJ; ACKLAND, GJ; CRAIN, J, " PRESSURE-INDUCED POLYMORPHISM IN CUCL - AN AB-INITIO STUDY", PHYSICAL REVIEW B, Vol 51, Issue 18, Page 12216-12222. (Details)

  • 1995 HSUEH, HC; VASS, H; CLARK, SJ; ACKLAND, GJ; CRAIN, J, " HIGH-PRESSURE EFFECTS IN THE LAYERED SEMICONDUCTOR GERMANIUM SELENIDE", PHYSICAL REVIEW B, Vol 51, Issue 23, Page 16750-16760. (Details)

  • 1995 HSUEH, HC; VASS, H; CLARK, SJ; CRAIN, J, " BREAKDOWN OF RIGID-UNIT VIBRATIONS IN LAYERED SEMICONDUCTORS UNDER PRESSURE - APPLICATION TO GERMANIUM SULFIDE", EUROPHYSICS LETTERS, Vol 31, Issue 3, Page 151-155. (Details)

  • 1995 CLARK, SJ; ACKLAND, GJ; AKBARZADEH, H, " A THEORETICAL-STUDY OF PRESSURE EFFECTS ON SELENIUM-I", JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, Vol 56, Issue 3-4, Page 329-334. (Details)

  • 1995 CRAIN, J; ACKLAND, GJ; PILTZ, RO; HATTON, PD; CLARK, SJ, " DENSE TETRAHEDRAL STRUCTURES OF COMPOUND SEMICONDUCTOR", JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, Vol 56, Issue 3-4, Page 495-500. (Details)

  • 1995 HSUEH, HC; VASS, H; CLARK, SJ; CRAIN, J, " BREAKDOWN OF RIGID-UNIT VIBRATIONS IN LAYERED SEMICONDUCTORS UNDER PRESSURE - APPLICATION TO GERMANIUM SULFIDE (VOL 31, PG 151, 1995)", EUROPHYSICS LETTERS, Vol 31, Issue 8, Page 503-503. (Details)

  • 1994 CRAIN, J; CLARK, SJ; ACKLAND, GJ; PAYNE, MC; MILMAN, V; HATTON, PD; REID, BJ, " THEORETICAL-STUDY OF HIGH-DENSITY PHASES OF COVALENT SEMICONDUCTORS .1. AB-INITIO TREATMENT", PHYSICAL REVIEW B, Vol 49, Issue 8, Page 5329-5340. (Details)

  • 1994 CRAIN, J; PILTZ, RO; ACKLAND, GJ; PAYNE, MC; MILMAN, V; LIN, JS; HATTON, PD; NAM, YH; CLARK, SJ, " TETRAHEDRAL STRUCTURES AND PHASE-TRANSITIONS IN III-V SEMICONDUCTORS", PHYSICAL REVIEW B, Vol 50, Issue 12, Page 8389-8401. (Details)

  • 1994 CLARK, SJ; ACKLAND, GJ; CRAIN, J, " THEORETICAL-STUDY OF HIGH-DENSITY PHASES OF COVALENT SEMICONDUCTORS .2. EMPIRICAL-TREATMENT", PHYSICAL REVIEW B, Vol 49, Issue 8, Page 5341-5352. (Details)

  • 1994 CLARK, SJ; ACKLAND, GJ; CRAIN, J; PAYNE, MC, " VERY-LOW ENERGY SURFACE OF SILICON", PHYSICAL REVIEW B, Vol 50, Issue 8, Page 5728-5731. (Details)

  • 1994 HATTON, PD; CRAIN, J; ACKLAND, GJ; CLARK, SJ; PILTZ, RO, " METASTABLE STRUCTURES OF TETRAHEDRAL SEMICONDUCTORS", HIGH-PRESSURE SCIENCE AND TECHNOLOGY - 1993, PTS 1 AND 2 Page 549-552. (Details)

  • 1985 CLARK, SJ, " THE EFFECTS OF GOVERNMENT EXPENDITURE ON THE TERM STRUCTURE OF INTEREST-RATES - COMMENT", JOURNAL OF MONEY CREDIT AND BANKING, Vol 17, Issue 3, Page 397-400. (Details)