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  • Currently displaying 19661 - 19680 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
The adsorption geometry of sulphur on Ir{1 0 0}: A quantitative LEED study
TJ Lerotholi, G Held, DA King
Surface Science
(2006)
600
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
Deterministic and statistical methods for reconstructing multidimensional NMR spectra
JW Yoon, SJ Godsill, E Kupce, R Freeman
Magn Reson Chem
(2006)
44
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
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
J Am Chem Soc
(2006)
128
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
Thermodynamically self-consistent liquid state theories for systems with bounded potentials.
BM Mladek, G Kahl, M Neumann
J Chem Phys
(2006)
124
Translocation boost protein-folding efficiency of double-barreled chaperonins
I Coluzza, SM van der Vies, D Frenkel
Biophysical Journal
(2006)
90
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
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
The 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
Synthesis of Li1+αV3O8 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
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
Chem Commun (Camb)
(2006)
Solution structure of p53 core domain: Structural basis for its instability
JMP Cañadillas, H Tidow, SMV Freund, TJ Rutherford, HC Ang, AR Fersht
Proc Natl Acad Sci U S A
(2006)
103
Equilibrium free energies from fast-switching trajectories with large time steps
W Lechner, H Oberhofer, C Dellago, PL Geissler
Journal of Chemical Physics
(2006)
124
Core domain interactions in full-length p53 in solution.
DB Veprintsev, SMV Freund, A Andreeva, SE Rutledge, H Tidow, JMP Cañadillas, CM Blair, AR Fersht
Proceedings of the National Academy of Sciences of the United States of America
(2006)
103