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  • Currently displaying 21161 - 21180 of 30170 publications
Author(s)
Publication title
Journal Name
Publication year
Formation of an interlocked quadruplex dimer by d(GGGT)
Y Krishnan-Ghosh, D Liu, S Balasubramanian
J Am Chem Soc
(2004)
126
A FORTRAN-90 Low-Energy Electron Diffraction program (LEED90 v1.1)
M Blanco-Rey, P de Andres, G Held, DA King
Computer Physics Communications
(2004)
161
Molecular t-matrices for Low-Energy Electron Diffraction (TMOL v1.1)
M Blanco-Rey, P de Andres, G Held, DA King
Computer Physics Communications
(2004)
161
Driving Forces for Self-Organized Coadsorption: C6H6/2O and C6H6/2CO on Ni{111}
S Yamagishi, SJ Jenkins, DA King
Journal of the American Chemical Society
(2004)
126
The formation of dimeric phosph(III) azane macrocycles [{P(mu-(NBu)-Bu-t)}(2)center dot LL](2) [LL = organic spacer]
F García, RA Kowenicki, I Kuzu, L Riera, M McPartlin, DS Wright
Dalton Trans
(2004)
Ordered Block-Copolymer Assembly Using Nanoimprint Lithography
H-W Li, WTS Huck
Nano Letters
(2004)
4
5-tert-Butyl-2-(N,N-di­methyl­amino­carbonyl­thio)­isophthal­aldehyde
C McKenzie, AD Bond
Acta Crystallographica Section E: Crystallographic Communications
(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
Angewandte Chemie International Edition
(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
Phys Rev Lett
(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
Evidence for a nitrogen-induced reconstruction of Fe{111}
DK Escott, SJ Pratt, DA King
Surface Science
(2004)
562
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