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  • Currently displaying 22181 - 22200 of 31130 publications
Author(s)
Publication title
Journal Name
Publication year
A hybrid Hartree-Fock density functional theory study of Li xNi1-xO
WC Mackrodt, DS Middlemiss
Journal of Physics: Condensed Matter
(2004)
16
Theoretical study on the selectivity of asymmetric sulfur ylide epoxidation reaction.
MA Silva, BR Bellenie, JM Goodman
Org Lett
(2004)
6
Modelling colloids with Baxter's adhesive hard sphere model
MA Miller, D Frenkel
(2004)
Folding of the GB1 hairpin peptide from discrete path sampling
DA Evans, DJ Wales
J Chem Phys
(2004)
121
Discrete solution of the electrokinetic equations
F Capuani, I Pagonabarraga, D Frenkel
The Journal of chemical physics
(2004)
121
Correlation between host-guest binding and host amplification in simulated dynamic combinatorial libraries
PT Corbett, S Otto, JKM Sanders
Chemistry
(2004)
10
Interaction of Nitric Oxide with Molecular Adlayers Adsorbed on Rh(111)
V Fiorin, MRS McCoustra, MA Chesters
Journal of Physical Chemistry B
(2004)
108
Molecule by molecule direct and quantitative counting of antibody-protein complexes in solution.
H Li, D Zhou, H Browne, S Balasubramanian, D Klenerman
Anal Chem
(2004)
76
Helix stability in barstar peptides.
AS Soler-González, AR Fersht
European journal of biochemistry
(2004)
249
Synthesis and Characterisation of the First Three‐Dimensional Mixed‐Metal‐Center Inorganic‐Organic Hybrid Framework with N‐(Phosphonomethyl)iminodiacetate
FAA Paz, F Shi, J Klinowski, J Rocha, T Trindade
European Journal of Inorganic Chemistry
(2004)
2004
Solid state C-13 CP MAS NMR study of molecular motions and interactions of urea adsorbed on cotton cellulose
JH Kristensen, N Bampos, M Duer
Physical Chemistry Chemical Physics
(2004)
6
Substrate recognition by the AAA+ chaperone ClpB.
C Schlieker, J Weibezahn, H Patzelt, P Tessarz, C Strub, K Zeth, A Erbse, J Schneider-Mergener, JW Chin, PG Schultz, B Bukau, A Mogk
Nature Structural & Molecular Biology
(2004)
11
Studying the folding process of the acylphosphatase from Sulfolobus solfataricus. A comparative analysis with other proteins from the same superfamily.
F Bemporad, C Capanni, M Calamai, ML Tutino, M Stefani, F Chiti
Biochemistry
(2004)
43
Mechanism, selectivity promotion, and new ultraselective pathways in Ag-catalyzed heterogeneous epoxidation
FJ Williams, DPC Bird, A Palermo, AK Santra, RM Lambert
Journal of the American Chemical Society
(2004)
126
Understanding the Crystal Structure of Layered LiNi[sub 0.5]Mn[sub 0.5]O[sub 2] by Electron Diffraction and Powder Diffraction Simulation
YS Meng, G Ceder, CP Grey, W-S Yoon, Y Shao-Horn
Electrochemical and Solid-State Letters
(2004)
7
Synthesis of antimicrofilament marine macrolides: Synthesis and configurational assignment of a C5–C16 degradation fragment of reidispongiolide A
I Paterson, R Britton, K Ashton, H Knust, J Stafford
Proceedings of the National Academy of Sciences
(2004)
101
Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)2 dimer
ZP Liu, SJ Jenkins, DA King
Journal of the American Chemical Society
(2004)
126
Self-assembly using dynamic combinatorial chemistry
JKM Sanders
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
(2004)
362
Melting of polydisperse hard disks
S Pronk, D Frenkel
Physical Review E Statistical Physics Plasmas Fluids and Related Interdisciplinary Topics
(2004)
69
Determination of Protein Structures Consistent with NMR Order Parameters
RB Best, M Vendruscolo
Journal of the American Chemical Society
(2004)
126