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  • Currently displaying 21561 - 21580 of 30298 publications
Author(s)
Publication title
Journal Name
Publication year
Self-poisoning of crystal nuclei in hard-rod liquids.
T Schilling, D Frenkel
Physical Review Letters
(2004)
92
Controlled growth and subsequent chemical modification of poly(glycidyl methacrylate) brushes on silicon wafers
S Edmondson, WTS Huck
Journal of Materials Chemistry
(2004)
14
Determination of an ensemble of structures representing the denatured state of the bovine acyl-coenzyme a binding protein
K Lindorff-Larsen, S Kristjansdottir, K Teilum, W Fieber, CM Dobson, FM Poulsen, M Vendruscolo
Journal of the American Chemical Society
(2004)
126
Direct measurement of three-body interactions amongst charged colloids - art. no. 078301
M Brunner, J Dobnikar, H-H von Grünberg, C Bechinger
Physical Review Letters
(2004)
92
Cover Picture: Macromol. Theory Simul. 1/2004
MA Inda, D Frenkel
Macromolecular Theory and Simulations
(2004)
13
Templated ligand assembly by using G-quadruplex DNA and dynamic covalent chemistry
AM Whitney, S Ladame, S Balasubramanian
Angewandte Chemie International Edition
(2004)
43
5-pyrrolidin-2-yltetrazole: A new, catalytic, more soluble alternative to proline in an organocatalytic asymmetric Mannich-type reaction
AJA Cobb, DM Shaw, SV Ley
Synlett
(2004)
2004
First-principles study ofH2Odiffusion on a metal surface: H2Oon Al{100}
A Michaelides, VA Ranea, PL de Andres, DA King
Physical Review B Condensed Matter and Materials Physics
(2004)
69
Melting of Polydisperse Hard Disks
S Pronk, D Frenkel
(2004)
The crystal structure of human CD1b with a bound bacterial glycolipid.
T Batuwangala, D Shepherd, SD Gadola, KJC Gibson, NR Zaccai, AR Fersht, GS Besra, V Cerundolo, EY Jones
Journal of immunology (Baltimore, Md. : 1950)
(2004)
172
Collision energy dependence of the HD(ν′=2) product rotational distribution of the H+D2 reaction in the range 1.30–1.89 eV
F Ausfelder, AE Pomerantz, RN Zare, SC Althorpe, FJ Aoiz, L Banares, JF Castillo
Journal of Chemical Physics
(2004)
120
Disagreement between theory and experiment in the simplest chemical reaction: Collision energy dependent rotational distributions for H+D 2→HD(v′ = 3,J′) + D
AE Pomerantz, F Ausfelder, RN Zare, SC Althorpe, FJ Aoiz, L Banares, JF Castillo
J Chem Phys
(2004)
120
Free Energy and Structure of Dislocation Cores in Two-Dimensional Crystals †
PB Bladon, D Frenkel
The Journal of Physical Chemistry B
(2004)
108
Phase Behavior and Selectivity of DNA-linked Nanoparticle Assemblies
DB Lukatsky, D Frenkel
(2004)
Electronic structure of a stepped semiconductor surface: Density functional theory of Si(114)-(2x1)
RD Smardon, GP Srivastava, SJ Jenkins
Physical Review B
(2004)
69
Phase behavior and selectivity of DNA-linked nanoparticle assemblies
DB Lukatsky, D Frenkel
Physical review letters
(2004)
92
Surface infra-red emission during alkaki-metal incorporation at an oxide surface
Y-C Hou, SJ Jenkins, DA King
Surface Science
(2004)
550
Accurate determinations of the extent to which the SE2′ reactions of allyl-, allenyl- and propargylsilanes are stereospecifically anti
MJC Buckle, I Fleming, S Gil, KLC Pang
Organic & Biomolecular Chemistry
(2004)
2
Steric control in the oligomerisation of phosphazane dimers; towards new phosphorus-nitrogen macrocycles
EL Doyle, F García, SM Humphrey, RA Kowenicki, L Riera, AD Woods, DS Wright
Dalton Trans.
(2004)
4
Numerical prediction of absolute crystallization rates in hard-sphere colloids.
S Auer, D Frenkel
J Chem Phys
(2004)
120