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  • Currently displaying 20881 - 20900 of 29869 publications
Author(s)
Publication title
Journal Name
Publication year
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
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 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
Radiocarbon (14C)-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
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
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
Evidence for a nitrogen-induced reconstruction of Fe{111}
DK Escott, SJ Pratt, DA King
Surface Science
(2004)
562
Synthesis of patterned polymer brushes from flexible polymeric films
T Farhan, WTS Huck
European Polymer Journal
(2004)
40
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
Amyloid disaggregation: Experiencing hierarchical grades of reversibility
M Calamai, C Canale, A Relini, M Stefani, F Chiti, CM Dobson
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
NO2 emissions from agricultural burning in São Paulo, Brazil.
C Oppenheimer, VI Tsanev, AG Allen, AJS McGonigle, AA Cardoso, A Wiatr, W Paterlini, CDM Dias
Environmental Science and Technology
(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