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  • Currently displaying 21521 - 21540 of 30260 publications
Author(s)
Publication title
Journal Name
Publication year
Self-Poisoning of Crystal Nuclei in Hard-Rod Liquids
T Schilling, D Frenkel
Phys Rev Lett
(2004)
92
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
J Am Chem Soc
(2004)
126
Direct Measurement of Three-Body Interactions amongst Charged Colloids
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 ed. in English)
(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 of H2O diffusion on a metal surface:: H2O on Al{100} -: art. no. 075409
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
J Immunol
(2004)
172
Disagreement between theory and experiment in the simplest chemical reaction: collision energy dependent rotational distributions for H + D2 --> HD(nu' = 3,j') + D.
AE Pomerantz, F Ausfelder, RN Zare, SC Althorpe, FJ Aoiz, L Banares, JF Castillo
The Journal of chemical physics
(2004)
120
Collision energy dependence of the HD(nu(')=2) product rotational distribution of the H+D-2 reaction in the range 1.30-1.89 eV
F Ausfelder, AE Pomerantz, RN Zare, SC Althorpe, FJ Aoiz, L Banares, JF Castillo
The Journal of Chemical Physics
(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
Electronic structure of a stepped semiconductor surface: Density functional theory of Si(114)-(2×1)
RD Smardon, GP Srivastava, SJ Jenkins
Physical Review B
(2004)
69
Phase Behavior and Selectivity of DNA-linked Nanoparticle Assemblies
DB Lukatsky, D Frenkel
(2004)
Phase behavior and selectivity of DNA-linked nanoparticle assemblies.
DB Lukatsky, D Frenkel
Physical review letters
(2004)
92
Surface infra-red emission during alkali-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
The Journal of Chemical Physics
(2004)
120
Structural Distortion of p53 by the Mutation R249S and its Rescue by a Designed Peptide: Implications for “Mutant Conformation”
A Friedler, BS DeDecker, SMV Freund, C Blair, S Rüdiger, AR Fersht
J Mol Biol
(2004)
336