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  • Currently displaying 22361 - 22380 of 30651 publications
Author(s)
Publication title
Journal Name
Publication year
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
Large difference in the elastic properties of fcc and hcp hard-sphere crystals
S Pronk, D Frenkel
(2003)
Velocity fluctuations and dispersion in a simple porous medium - art. no. 056306
F Capuani, D Frenkel, CP Lowe
Phys Rev E Stat Nonlin Soft Matter Phys
(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 - art. no. 051404
E Allahyarov, H Löwen, JP Hansen, AA Louis
Phys Rev E Stat Nonlin Soft Matter Phys
(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
Physical Review Letters
(2003)
90
Phase behavior of a lattice protein model
N Combe, D Frenkel
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
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
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
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
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
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 of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences
(2003)
361
In situ ammonia generation as a strategy for catalytic NOx reduction under oxygen rich conditions
N Macleod, RM Lambert
Chem Commun (Camb)
(2003)
3
Electronic excitation and transient defects inAs2S3glass
T Uchino, SR Elliott
Physical Review B
(2003)
67
Toward the total synthesis of phorboxazole A: synthesis of an advanced C4–C32 subunit using the Jacobsen hetero Diels–Alder reaction
I Paterson, CA Luckhurst
Tetrahedron Letters
(2003)
44