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  • Currently displaying 21201 - 21220 of 30197 publications
Author(s)
Publication title
Journal Name
Publication year
5-tert-Butyl-2-(N,N-dimethylaminocarbonylthio)-isophthalaldehyde
C McKenzie, AD Bond
Acta Crystallographica Section E Structure Reports Online
(2004)
60
Conformational sampling and dynamics of membrane proteins from 10‐nanosecond computer simulations
JD Faraldo-Gómez, LR Forrest, M Baaden, PJ Bond, C Domene, G Patargias, J Cuthbertson, MSP Sansom
Proteins Structure Function and Bioinformatics
(2004)
57
Hartree–Fock exchange in time dependent density functional theory: application to charge transfer excitations in solvated molecular systems
L Bernasconi, M Sprik, J Hutter
Chemical Physics Letters
(2004)
394
Combined Neutron Diffraction, NMR, and Electrochemical Investigation of the Layered-to-Spinel Transformation in LiMnO2
AR Armstrong, N Dupre, AJ Paterson, CP Grey, PG Bruce
Chemistry of Materials
(2004)
16
A concise total synthesis of (+)-okaramine C.
PR Hewitt, E Cleator, SV Ley
Organic & biomolecular chemistry
(2004)
2
Forced Peptide Synthesis in Nanoscale Confinement under Elastomeric Stamps
TP Sullivan, ML van Poll, PYW Dankers, WTS Huck
Angew Chem Int Ed Engl
(2004)
43
Sulfonium Ylide Epoxidation Reactions: Methylene Transfer.
BR Bellenie, JM Goodman
ChemInform
(2004)
35
Rhodium(I) and palladium(II) complexes with the Schiff base 2,2 ′-bis((4S)-4-benzyl-2-oxazoline)
MD Jones, FAA Paz, JE Davies, R Raja, M Duer, J Klinowski, BFG Johnson
Inorganica Chimica Acta
(2004)
357
Crystal nucleation of colloidal suspensions under shear.
R Blaak, S Auer, D Frenkel, H Löwen
Physical review letters
(2004)
93
The steady-state of heterogeneous catalysis, studied by first-principles statistical mechanics
K Reuter, D Frenkel, M Scheffler
(2004)
Liquid Water from First Principles: Investigation of Different Sampling Approaches
I-FW Kuo, CJ Mundy, MJ McGrath, JI Siepmann, J VandeVondele, M Sprik, J Hutter, B Chen, ML Klein, F Mohamed, M Krack, M Parrinello
The Journal of Physical Chemistry B
(2004)
108
Synthesis and acid catalyzed hydrolysis of B-2,B-5 type conformationally constrained glucopyranosides: incorporation into a cellobiose analogue
Y Blériot, SK Vadivel, AJ Herrera, IR Greig, AJ Kirby, P Sinaÿ
Tetrahedron
(2004)
60
Evidence for a nitrogen-induced reconstruction of Fe{1 1 1}
DK Escott, SJ Pratt, DA King
Surface Science
(2004)
562
Radiocarbon (C-14)-deduced biogenic and anthropogenic contributions to organic carbon (OC) of urban aerosols from Zurich, Switzerland
S Szidat, TM Jenk, HW Gäggeler, H-A Synal, R Fisseha, U Baltensperger, M Kalberer, V Samburova, S Reimann, A Kasper-Giebl, I Hajdas
Atmospheric Environment
(2004)
38
A Huckel study of the effect of a molecular resonance cavity on the quantum conductance of an alkene wire
R Collepardo-Guevara, D Walter, D Neuhauser, R Baer
Chemical Physics Letters
(2004)
393
Synthesis of patterned polymer brushes from flexible polymeric films
T Farhan, WTS Huck
European Polymer Journal
(2004)
40
Formation of secondary organic aerosols from isoprene and its gas-phase oxidation products through reaction with hydrogen peroxide
M Claeys, W Wang, AC Ion, I Kourtchev, A Gelencsér, W Maenhaut
Atmospheric Environment
(2004)
38
Amyloid disaggregation: Experiencing hierarchical grades of reversibility
M Calamai, C Canale, A Relini, M Stefani, F Chiti, CM Dobson
PROTEIN SCIENCE
(2004)
13
Neuronal cell death is triggered by prefibrillar protein aggregates
M Stefani, S Baglioni, M Bucciantini, F Chiti, CM Dobson, N Taddei, F Casamenti
PROTEIN SCIENCE
(2004)
13
Photoluminescent layered lanthanide silicates
D Ananias, M Kostova, FA Almeida Paz, A Ferreira, LD Carlos, J Klinowski, J Rocha
Journal of the American Chemical Society
(2004)
126