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  • Currently displaying 21181 - 21200 of 30178 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
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
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
Driving forces for self-organized coadsorption: C6-H6/2O and C6-H6/2CO on Ni{111}
S Yamagishi, SJ Jenkins, DA King
J Am Chem Soc
(2004)
126
Ordered block-copolymer assembly using nanoimprint lithography
H-W Li, WTS Huck
Nano Letters
(2004)
4
The formation of dimeric phosph(III)azane macrocycles [{P(μ-N tBu)}2·LL]2 [LL = organic spacer]
F García, RA Kowenicki, I Kuzu, L Riera, M McPartlin, DS Wright
Dalton Transactions
(2004)
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 Genetics
(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
Org Biomol Chem
(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
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
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
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