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  • Currently displaying 20921 - 20940 of 29867 publications
Author(s)
Publication title
Journal Name
Publication year
The nodes of Hartree–Fock wavefunctions and their orbitals
J Hachmann, PTA Galek, T Yanai, GK-L Chan, NC Handy
Chemical Physics Letters
(2004)
392
Structural, elastic, thermophysical and dielectric properties of zinc aluminate (ZnAl 2 O 4 )
NJ van der Laag, MD Snel, PCMM Magusin, G de With
Journal of the European Ceramic Society
(2004)
24
Communications blackout? Do N-acylhomoserine lactone-degrading enzymes have any role in quorum sensing?
DM Roche, JT Byers, DS Smith, FG Glansdorp, DR Spring, M Welch
Microbiology (Reading, England)
(2004)
150
[Li−Si−O]-MFI:  A New Microporous Lithosilicate with the MFI Topology
S-H Park, H Liu, M Kleinsorge, CP Grey, BH Toby, JB Parise
Chemistry of Materials
(2004)
16
First observation of capping/uncapping by a ligand of a Zn porphyrin adsorbed on Ag(100).
FJ Williams, OPH Vaughan, KJ Knox, N Bampos, RM Lambert
Chemical Communications
(2004)
4
Synthesis of the thapsigargins.
SV Ley, A Antonello, EP Balskus, DT Booth, SB Christensen, E Cleator, H Gold, K Högenauer, U Hünger, RM Myers, SF Oliver, O Simic, MD Smith, H Søhoel, AJA Woolford
Proceedings of the National Academy of Sciences
(2004)
101
A hybrid Hartree–Fock density functional theory study of LixNixO
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
Journal of Chemical Physics
(2004)
121
Discrete solution of the electrokinetic equations.
F Capuani, I Pagonabarraga, D Frenkel
The 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 (Weinheim an der Bergstrasse, Germany)
(2004)
10
Modelling colloids with Baxter's adhesive hard sphere model
MA Miller, D Frenkel
(2004)
Helix stability in barstar peptides
AS Soler-González, AR Fersht
European journal of biochemistry
(2004)
249
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
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 13 C 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
J Am Chem Soc
(2004)
126