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  • Currently displaying 19701 - 19720 of 29894 publications
Author(s)
Publication title
Journal Name
Publication year
Combination of plane wave packet and nearside-farside methods applied to the He+H-2(+) reaction
AN Panda, SC Althorpe
Chemical Physics Letters
(2006)
419
The adsorption geometry of sulphur on Ir{1 0 0}: A quantitative LEED study
TJ Lerotholi, G Held, DA King
Surface Science
(2006)
600
Corrigendum to “Copper as a selective catalyst for the epoxidation of propene” [J. Catal. 236 (2) (2005) 401–404]
OPH Vaughan, G Kyriakou, N Macleod, M Tikhov, RM Lambert
Journal of Catalysis
(2006)
238
Macroscopic 2D Networks Self-Assembled from Nanometer-Sized Protein/DNA Complexes
M Manzanera, DJ Frankel, H Li, D Zhou, A Bruckbauer, P Kreutzmann, JM Blackburn, C Abell, T Rayment, D Klenerman, PD Barker
Nano Lett
(2006)
6
Diabatic free energy curves and coordination fluctuations for the aqueous Ag+ Ag2+ redox couple: A biased Born-Oppenheimer molecular dynamics investigation
J Blumberger, I Tavernelli, ML Klein, M Sprik
The Journal of Chemical Physics
(2006)
124
Deterministic and statistical methods for reconstructing multidimensional NMR spectra
JW Yoon, SJ Godsill, E Kupce, R Freeman
Magn Reson Chem
(2006)
44
Theory of C2Hx species on Pt{110}(1 × 2): Structure, stability, and thermal chemistry
AT Anghel, SJ Jenkins, DJ Wales, DA King
J Phys Chem B
(2006)
110
Plenty of room at the top
D Frenkel
Nature Materials
(2006)
5
Enforced face-to-face stacking of organic semiconductor building blocks within hydrogen-bonded molecular cocrystals
AN Sokolov, T Friscić, LR MacGillivray
Journal of the American Chemical Society
(2006)
128
Harvesting Chemical Information from the Internet Using a Distributed Approach:  ChemXtreme
M Karthikeyan, S Krishnan, AK Pandey, A Bender
Journal of Chemical Information and Modeling
(2006)
46
Probing the Mechanism of Amyloidogenesis through a Tandem Repeat of the PI3-SH3 Domain Suggests a Generic Model for Protein Aggregation and Fibril Formation
R Bader, R Bamford, J Zurdo, BF Luisi, CM Dobson
Journal of molecular biology
(2006)
356
Translocation boost protein-folding efficiency of double-barreled chaperonins
I Coluzza, SM van der Vies, D Frenkel
Biophys J
(2006)
90
Thermodynamically self-consistent liquid state theories for systems with bounded potentials
BM Mladek, G Kahl, M Neumann
Journal of Chemical Physics
(2006)
124
Reactive Uptake of N2O5 by Aerosol Particles Containing Mixtures of Humic Acid and Ammonium Sulfate
CL Badger, PT Griffiths, I George, JPD Abbatt, RA Cox
Journal of Physical Chemistry A
(2006)
110
Enhancement of charge-transport characteristics in polymeric films using polymer brushes
GL Whiting, HJ Snaith, S Khodabakhsh, JW Andreasen, DW Breiby, MM Nielsen, NC Greenham, RH Friend, WTS Huck
Nano letters
(2006)
6
Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect
VK de Souza, DJ Wales
Phys Rev Lett
(2006)
96
Characterization of the organic composition of aerosols from Rondônia, Brazil, during the LBA-SMOCC 2002 experiment and its representation through model compounds
S Decesari, S Fuzzi, MC Facchini, M Mircea, L Emblico, F Cavalli, W Maenhaut, X Chi, G Schkolnik, A Falkovich, Y Rudich, M Claeys, V Pashynska, G Vas, I Kourtchev, R Vermeylen, A Hoffer, MO Andreae, E Tagliavini, F Moretti, P Artaxo
Atmospheric Chemistry and Physics
(2006)
6
Sulfur, normally a poison, strongly promotes chemoselective catalytic hydrogenation: stereochemistry and reactivity of crotonaldehyde on clean and S-modified Cu(111)
ME Chiu, G Kyriakou, FJ Williams, DJ Watson, MS Tikhov, RM Lambert
Chemical communications (Cambridge, England)
(2006)
Synthesis of Li1+alpha V3O8 via a gel precursor: Part II, from xerogel to the anhydrous material
M Dubarry, J Gaubicher, D Guyomard, N Steunou, J Livage, N Dupré, CP Grey
Chemistry of Materials
(2006)
18
Equilibrium free energies from fast-switching trajectories with large time steps
W Lechner, H Oberhofer, C Dellago, PL Geissler
The Journal of chemical physics
(2006)
124