Publications

 
  • Coherency Strain and a New Yield Criterion
    Jayaweera NB Downes JR Dunstan DJ BUSHBY AJ Kidd P Kelly A Farkas D
    Structure and mechanical properties of nanophase materials: theory and computer simulation vs. experiment : symposium Boston, Massachusetts 28 Nov 2000 - 30 Nov 2000. vol. 634 
    01-12-2001
  • Investigation of the solubility and ion release in the glass system K2O-Na2O-CaO-P2O5
    Knowles JC Franks K Abrahams I
    Biomaterials vol. 22 (23), 3091-3096.  
    01-12-2001
  • Physical Origin of a Size Effect in Nano-indentation
    BUSHBY AJ Downes JR Jayaweera NB Kidd P Kelly A Dunstan DJ
    Fundamentals of Nanoindentation and Nanotribology II Symposium, 2000 MRS fall meeting Boston, Mass. 27 Nov 2000 - 1 Dec 2000. vol. 649 
    01-12-2001
  • Raman scattering studies on single-crystalline bulk AlN: temperature and pressure dependence of the AlN phonon modes
    Kuball M Hayes JM Shi Y Edgar JH Prins AD van Uden NWA Dunstan DJ
    JOURNAL OF CRYSTAL GROWTH. vol. 231 (3), 391-396.  
    01-10-2001
  • Evidence for cluster orbital formation in CsSn2X5 compounds (X=Cl, Br)
    Abrahams I Demetriou DZ Kroemer RT Taylor H
    J Solid State Chem vol. 160 (2), 382-387.  
    01-09-2001
  • An ab initio computational study on selected lycopene isomers
    Chasse GA Mak ML Deretey E Farkas I Torday LL Sarma DSR Agarwal A
    J Mol Struc-Theochem vol. 571, 27-37.  
    27-08-2001
  • Conformational potential energy surfaces of a Lycopene model
    Chasse GA Chasse KP Kucsman A Torday LL
    J Mol Struc-Theochem vol. 571, 7-26.  
    27-08-2001
  • Dynamic chirality in selected diaryl methane containing drugs. An exploratory ab initio conformational study
    Villagra SE Santillan MB Rodriguez AM Chasse GA Zacchino S Matyus P
    J Mol Struc-Theochem vol. 549 (3), 217-228.  
    13-08-2001
  • Stereoelectronic effects and dynamic chirality in ethyl nitrite (Et-ONO) computed at the HF and DFT levels of theory
    Bombasaro JA Suvire FD Chasse GA Zamarbide GN
    J Mol Struc-Theochem vol. 548, 39-46.  
    30-07-2001
  • Cationic intermediates in trans- to cis- isomerization reactions of allylic systems. An exploratory ab initio study
    Yeung JCY Chasse GA Frondozo EJ
    J Mol Struc-Theochem vol. 546, 143-162.  
    16-07-2001
  • An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
    Tarditi AM Klipfel MW Rodriguez AM Suvire FD Chasse GA Perczel A
    J Mol Struc-Theochem vol. 545, 29-47.  
    09-07-2001
  • Electrochemical lithium intercalation in lead-tin-aluminium solder
    Trifonova AV Momchilov AA
    Solid State Ionics vol. 143 (3-4), 319-328.  
    01-07-2001
  • An exploratory study of side-chain-backbone interaction in selected conformations of N-acetyl-L-glutamate-N-methylamide. An ab initio study
    Masman MF Amaya MG Rodriguez AM Suvire FD Chasse GA
    J Mol Struc-Theochem vol. 543, 203-222.  
    22-06-2001
  • Photoluminescence of (111) InxGa1-xAs/GaAs strained-layer quantum wels under hydrostatic pressure
    van Uden NWA Downes JR Dunstan DJ
    Phys Rev B vol. 63 (23) 
    15-06-2001
  • Biochemical and X-ray crystallographic studies on shikimate kinase: the important structural role of the P-loop lysine.
    Krell T Maclean J Boam DJ Cooper A Resmini M Brocklehurst K Kelly SM Price NC et al.
    Protein Sci vol. 10 (6), 1137-1149.  
    01-06-2001
  • Kinetic and titration methods for determination of active site contents of enzyme and catalytic antibody preparations.
    Brocklehurst K Resmini M Topham CM
    Methods vol. 24 (2), 153-167.  
    01-06-2001
  • Solid and solution state NMR spectra and the structure of the gallium citrate complex (NH4)(3)[Ga(C6H5O7)(2)]center dot 4H(2)O
    Hawkes GE O'Brien P Salacinski H Motevalli M
    Eur J Inorg Chem (4), 1005-1011.  
    01-04-2001
  • Peptide and protein folding
    Chasse GA Rodriguez AM Mak ML Deretey E Perczel A Sosa CP
    J Mol Struc-Theochem vol. 537, 319-361.  
    12-03-2001
  • 28pTB-7 高圧力下のGaInP/AlGaInP量子井戸レーザー構造における発光特性
    勝之 井 盾 原 利彦 小 Prins AD Downes JR Dunstan DJ Sly JL Missous M
     
    09-03-2001
  • Absorption in emission: radiative Auger spectra in silica, phosphate and sulfate
    Abrahams I Kover L Toth J Vrebos B
    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA. vol. 114, 925-931.  
    01-03-2001
  • Defect structure and ionic conductivity as a function of thermal history in BIMGVOX solid electrolytes
    Abrahams I Krok F Malys M
    J Mater Sci vol. 36 (5), 1099-1104.  
    01-03-2001
  • Investigation of thermal parameters and crystallisation in a ternary CaO-Na2O-P2O5-based glass system
    Franks K Abrahams I Georgiou G
    Biomaterials vol. 22 (5), 497-501.  
    01-03-2001
  • Raman scattering studies on single-crystalline bulk AlN under high pressures
    Kuball M Hayes JM Prins AD van Uden NWA Dunstan DJ Shi Y Edgar JH
    Appl Phys Lett vol. 78 (6), 724-726.  
    05-02-2001
  • Coherency strain and a new yield criterion
    Jayaweera NB Downes JR Dunstan DJ Bushby AJ Kidd P Kelly A
    Materials Research Society Symposium Proceedings. vol. 634 
    01-01-2001
  • Physical origin of a size effect in nanoindentation
    Bushby AJ Downes JR Jayaweera NB Kidd P Kelly A Dunstan DJ
    Materials Research Society Symposium Proceedings. vol. 649 
    01-01-2001
  • Stabilisation and characterisation of a new beta(III)-phase in Zr-doped Bi2O3
    Abrahams I Bush AJ Chan SCM Wrobel W
    J Mater Chem vol. 11 (6), 1715-1721.  
    01-01-2001
  • Theory of the anomalous low band-gap pressure coefficients of semiconductor strained layers
    Downes JR Van Uden NWA Bosher SHB Frogley MD Dunstan DJ
    Physica Status Solidi B-Basic Research vol. 223 (1), 205-211.  
    01-01-2001
  • Water interaction with glycine betaine: A hybrid QM/MM molecular dynamics simulation
    Sironi M Fornili A Fornili SL
    Physical Chemistry Chemical Physics, Royal Society of Chemistry (Rsc) vol. 3 (6), 1081-1085.  
    01-01-2001