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  • Currently displaying 20421 - 20440 of 29281 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
Rovibrational energy levels of hydrogen peroxide, studied by MULTIMODE with a reaction path Hamiltonian.
S Carter, NC Handy
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
(2004)
60
Design and Characterisation of an Artificial DNA‐Binding Cytochrome
DD Jones, PD Barker
Chembiochem : a European journal of chemical biology
(2004)
5
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
Nitrogen-induced nanometre-scale faceting of Cu(410)
SM Driver, DP Woodruff
Surface Science
(2004)
560
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
(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 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
Organic Letters
(2004)
6
Discrete solution of the electrokinetic equations
F Capuani, I Pagonabarraga, D Frenkel
Journal of Chemical Physics
(2004)
121
Folding of the GB1 hairpin peptide from discrete path sampling.
DA Evans, DJ Wales
J. Chem. Phys.
(2004)
121
Interaction of nitric oxide with molecular adlayers adsorbed on Rh(111)
V Fiorin, MRS McCoustra, MA Chesters
The 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
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
Eur J Biochem
(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
Nat Struct Mol Biol
(2004)
11