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  • Currently displaying 22901 - 22920 of 31842 publications
Author(s)
Publication title
Journal Name
Publication year
A hybrid Hartree–Fock density functional theory study of LixNi1−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
Folding of the GB1 hairpin peptide from discrete path sampling
DA Evans, DJ Wales
J. Chem. Phys.
(2004)
121
Modelling colloids with Baxter's adhesive hard sphere model
MA Miller, D Frenkel
(2004)
Discrete solution of the electrokinetic equations.
F Capuani, I Pagonabarraga, D Frenkel
Journal of Chemical Physics
(2004)
121
Interaction of Nitric Oxide with Molecular Adlayers Adsorbed on Rh(111)
V Fiorin, MRS McCoustra, MA Chesters
Journal of Physical Chemistry B
(2004)
108
Correlation between host-guest binding and host amplification in simulated dynamic combinatorial libraries.
PT Corbett, S Otto, JKM Sanders
Chemistry
(2004)
10
Molecule by molecule direct and quantitative counting of antibody-protein complexes in solution
H Li, D Zhou, H Browne, S Balasubramanian, D Klenerman
Analytical Chemistry
(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 13C 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
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
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
Understanding the crystal structure of layered LiNi 0.5Mn 0.5O 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
Self-assembly using dynamic combinatorial chemistry.
JKM Sanders
Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences
(2004)
362
New results for phase transitions from catastrophe theory
TV Bogdan, DJ Wales
The Journal of Chemical Physics
(2004)
120
Melting of polydisperse hard disks - art. no. 066123
S Pronk, D Frenkel
Physical Review E Statistical Nonlinear and Soft Matter Physics
(2004)
69