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  • Currently displaying 25001 - 25020 of 30391 publications
Author(s)
Publication title
Journal Name
Publication year
Extensions and tests of "multimodes': a code to obtain accurate vibration/rotation energies of many-mode molecules
S Carter, JM Bowman, NC Handy
Theoretical Chemistry Accounts
(1998)
100
Optimal packing of polydisperse hard-sphere fluids
J Zhang, R Blaak, E Trizac, JA Cuesta, D Frenkel
(1998)
Linear electro-optic effect in optically active liquids
AD Buckingham, P Fischer
Chemical Physics Letters
(1998)
297
Hydrogen-bond recognition of cyclic dipeptides in water
C Allott, H Adams, CA Hunter, JA Thomas, PL Bernad, C Rotger
Chemical Communications
(1998)
Co-ordination chemistry of bis(ferrocenylcarbaldimine) Schiff bases
P Li, IJ Scowen, JE Davies, MA Halcrow
Journal of the Chemical Society Dalton Transactions
(1998)
Spectroscopic characterisation of a copper(II) complex of a thioether-substituted phenoxyl radical: A new model for galactose oxidase
MA Halcrow, LML Chia, JE Davies, X Liu, LJ Yellowlees, EJL McInnes, FE Mabbs
Chemical Communications
(1998)
Direct synthesis of heterocyclic [(RP)nE]- anions using [E(NMe2)3] (E = Sb, As); implications to the mechanism of formation of Zintl compounds
MA Beswick, AD Hopkins, MEG Mosquera, PR Raithby, A Rothenberger, AJ Wheatley, DS Wright, N Choi, M McPartlin, D Stalke
Chemical Communications
(1998)
Energy transfer, proton transfer and electron transfer reactions within zeolites
V Ramamurthy, P Lakshminarasimhan, CP Grey, LJ Johnston
Chemical Communications
(1998)
6Li and 7Li MAS NMR studies of lithium manganate cathode materials
YJ Lee, F Wang, CP Grey
Journal of the American Chemical Society
(1998)
120
Pressure effects on hydrogen bonding in the disordered phase of solid HBr
T Ikeda, M Sprik, K Terakura, M Parrinello
Physical Review Letters
(1998)
81
Slow stress relaxation in randomly disordered nematic elastomers and gels
SM Clarke, EM Terentjev
Physical Review Letters
(1998)
81
A New Ammonium Manganese(II) Gallium Phosphate Hydrate: NH4[MnGa2(PO4)3(H2 O)2]
AM Chippindale, AR Cowley, AD Bond
Acta Crystallographica Section C: Structural Chemistry
(1998)
54
Thermodynamics and the global optimization of Lennard-Jones clusters
JPK Doye, DJ Wales, MA Miller
Journal of Chemical Physics
(1998)
109
Crystal and molecular structure of (TMEDA)(2)Li2Se4
TAJ Worden, DS Wright, A Steiner
Polyhedron
(1998)
17
An efficient method for calculating effective core potential integrals which involve projection operators
C-K Skylaris, L Gagliardi, NC Handy, AG Ioannou, S Spencer, A Willetts, AM Simper
Chemical Physics Letters
(1998)
296
Studies in marine macrolide synthesis: Synthesis of a fully functionalised C1C28 subunit of spongistatin 1 (altohyrtin A)
I Paterson, DJ Wallace, RM Oballa
Tetrahedron Letters
(1998)
39
Structural and dynamical characterization of a biologically active unfolded fibonectin-binding protein from Staphylococcus aureus
CJ Penkett, C Redfield, JA Jones, I Dodd, J Hubbard, RA Smith, LJ Smith, CM Dobson
Biochemistry
(1998)
37
Biosynthesis of vitamin B12
AR Battersby, FJ Leeper
BIOSYNTHESIS
(1998)
195
Effect of acoustic excitation on the rate of CO oxidation over Pt{110}
T Mitrelias, S Kelling, RI Kvon, VP Ostanin, DA King
Surface Science
(1998)
417
Free energy from constrained molecular dynamics
M Sprik, G Ciccotti
Journal of Chemical Physics
(1998)
109