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  • Currently displaying 21601 - 21620 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Fluid-fluid coexistence in colloidal systems with short-ranged strongly directional attraction
N Kern, D Frenkel
Journal of Chemical Physics
(2003)
118
Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times
C Toubin, S Picaud, PNM Hoang, C Girardet, RM Lynden-Bell, JT Hynes
Journal of Chemical Physics
(2003)
118
Adsorption energies and geometries of phenol on the (111) surface of nickel: Anab initiostudy
L Delle Site, A Alavi, CF Abrams
Physical Review B Condensed Matter and Materials Physics
(2003)
67
Fluorinated silane self-assembled monolayers as resists for patterning indium tin oxide
CK Luscombe, H-W Li, WTS Huck, AB Holmes
Langmuir
(2003)
19
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 Crystallogr D Biol Crystallogr
(2003)
59
Numerical calculation of the melting phase diagram of low molecular-weight polyethylene
C Das, D Frenkel
The Journal of Chemical Physics
(2003)
118
Large difference in the elastic properties of fcc and hcp hard-sphere crystals
S Pronk, D Frenkel
(2003)
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
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
Velocity fluctuations and dispersion in a simple porous medium
F Capuani, D Frenkel, CP Lowe
Physical Review E Statistical Physics Plasmas Fluids and Related Interdisciplinary Topics
(2003)
67
Nonmonotonic variation with salt concentration of the second virial coefficient in protein solutions - art. no. 051404
E Allahyarov, H Löwen, JP Hansen, AA Louis
Physical Review E
(2003)
67
Towards the chemical semantic web. An introduction to RSS
P Murray-Rust, HS Rzepa
INTERNET JOURNAL OF CHEMISTRY
(2003)
6
Continuous freezing in three dimensions.
RP Sear, D Frenkel
Phys Rev Lett
(2003)
90
Phase behavior of a lattice protein model
N Combe, D Frenkel
The Journal of Chemical Physics
(2003)
118
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
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
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