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  • Currently displaying 20361 - 20380 of 29256 publications
Author(s)
Publication title
Journal Name
Publication year
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
Forced peptide synthesis in nanoscale confinement under elastomeric stamps
TP Sullivan, ML van Poll, PYW Dankers, WTS Huck
Angewandte Chemie (International ed. in English)
(2004)
43
A concise total synthesis of (+)-okaramine C.
PR Hewitt, E Cleator, SV Ley
Organic and Biomolecular Chemistry
(2004)
2
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
Phys Rev Lett
(2004)
93
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
Journal of Physical Chemistry B
(2004)
108
Synthesis and acid catalyzed hydrolysis of B2,5 type conformationally constrained glucopyranosides: incorporation into a cellobiose analogue
Y Blériot, SK Vadivel, AJ Herrera, IR Greig, AJ Kirby, P Sinaÿ
Tetrahedron
(2004)
60
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
Synthesis of patterned polymer brushes from flexible polymeric films
T Farhan, WTS Huck
European Polymer Journal
(2004)
40
A Hückel 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
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
Evidence for a nitrogen-induced reconstruction of Fe{1 1 1}
DK Escott, SJ Pratt, DA King
Surface Science
(2004)
562
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
J Am Chem Soc
(2004)
126
NO2 emissions from agricultural burning in Sao Paulo, Brazil
C Oppenheimer, VI Tsanev, AG Allen, AJS McGonigle, AA Cardoso, A Wiatr, W Paterlini, CDM Dias
Environ Sci Technol
(2004)
38
Low-populated folding intermediates of Fyn SH3 characterized by relaxation dispersion NMR.
DM Korzhnev, X Salvatella, M Vendruscolo, AA Di Nardo, AR Davidson, CM Dobson, LE Kay
Nature
(2004)
430