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  • Currently displaying 21541 - 21560 of 29911 publications
Author(s)
Publication title
Journal Name
Publication year
A quantitative parameter for predicting mixing behaviour in adsorbed layers: the 2D isomorphism coefficient
SM Clarke, L Messe, J Adams, A Inaba, T Arnold, RK Thomas
Chemical Physics Letters
(2003)
373
General model for water monomer adsorption on close-packed transition and noble metal surfaces
A Michaelides, VA Ranea, PL de Andres, DA King
Physical Review Letters
(2003)
90
Solving the phase problem for carbohydrate-binding proteins using selenium derivatives of their ligands: a case study involving the bacterial F17-G adhesin.
L Buts, R Loris, E De Genst, S Oscarson, M Lahmann, J Messens, E Brosens, L Wyns, H De Greve, J Bouckaert
Acta Crystallographica Section D, Structural Biology
(2003)
59
Numerical calculation of the melting phase diagram of low molecular-weight polyethylene
C Das, D Frenkel
Journal of Chemical Physics
(2003)
118
On the representation of potential energy surfaces of polyatomic molecules in normal coordinates: II. Parameterisation of the force field
R Burcl, S Carter, NC Handy
Chemical Physics Letters
(2003)
373
Velocity fluctuations and dispersion in a simple porous medium
F Capuani, D Frenkel, CP Lowe
Physical Review E Statistical Nonlinear and Soft Matter Physics
(2003)
67
Versatile solid-phase synthesis of secondary amines from alcohols. Development of an N-Boc-(o-nitrobenzene)sulfonamide linker
MS Congreve, C Kay, JJ Scicinski, SV Ley, G Williams, PJ Murray, SC McKeown, SP Watson
Tetrahedron Letters
(2003)
44
Nonmonotonic variation with salt concentration of the second virial coefficient in protein solutions
E Allahyarov, H Löwen, JP Hansen, AA Louis
Physical Review E
(2003)
67
Continuous freezing in three dimensions - art. no. 195701
RP Sear, D Frenkel
Physical Review Letters
(2003)
90
Theoretical study of finite-temperature spectroscopy in van der Waals clusters. II. Time-dependent absorption spectra
F Calvo, F Spiegelman, DJ Wales
Journal of Chemical Physics
(2003)
118
Towards the chemical semantic web. An introduction to RSS
P Murray-Rust, HS Rzepa
INTERNET J CHEM
(2003)
6
Phase behavior of a lattice protein model
N Combe, D Frenkel
The Journal of Chemical Physics
(2003)
118
Dynamic covalent chemistry on self-templating peptides: formation of a disulfide-linked beta-hairpin mimic.
Y Krishnan-Ghosh, S Balasubramanian
Angewandte Chemie International Edition
(2003)
42
Radiative forcing in the 21st century due to ozone changes in the troposphere and the lower stratosphere
M Gauss, G Myhre, G Pitari, MJ Prather, ISA Isaksen, TK Berntsen, GP Brasseur, FJ Dentener, RG Derwent, DA Hauglustaine, LW Horowitz, DJ Jacob, M Johnson, KS Law, LJ Mickley, J Müller, P Plantevin, JA Pyle, HL Rogers, DS Stevenson, JK Sundet, M van Weele, O Wild
Journal of Geophysical Research
(2003)
108
Synthesis and Structure of the Novel “Paddle-Wheel” Complex [{(η5-Cp)2Pb(μ:η5-Cp)K}·2THF]
RA Layfield, M McPartlin, DS Wright
Organometallics
(2003)
22
Synthesis and structure of the novel "paddle-wheel" complex [(η5-Cp)2Pb(μ:η5-Cp)K}•2THF]
RA Layfield, M McPartlin, DS Wright
Organometallics
(2003)
22
Atomistic Molecular Dynamics Simulations of Chemical Force Microscopy
DL Patrick, JF Flanagan, P Kohl, RM Lynden-Bell
Journal of the American Chemical Society
(2003)
125
Solvent-induced symmetry breaking
FS Zhang, RM Lynden-Bell
Physical review letters
(2003)
90
Understanding the NMR shifts in paramagnetic transition metal oxides using density functional theory calculations -: art. no. 174103
D Carlier, M Ménétrier, CP Grey, C Delmas, G Ceder
Physical Review B Condensed Matter and Materials Physics
(2003)
67
Protein folding and misfolding: a paradigm of self–assembly and regulation in complex biological systems
M Vendruscolo, J Zurdo, CE MacPhee, CM Dobson
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
(2003)
361