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- Currently displaying 20121 - 20140 of 30213 publications
The adsorption geometry of sulphur on Ir{100}: A quantitative LEED study
Surface Science
(2006)
600
880
(doi: 10.1016/j.susc.2005.12.019)
Combination of plane wave packet and nearside–farside methods applied to the He+H2+ reaction
Chemical Physics Letters
(2006)
419
245
(doi: 10.1016/j.cplett.2005.11.093)
Deterministic and statistical methods for reconstructing multidimensional NMR spectra
Magnetic resonance in chemistry : MRC
(2006)
44
197
(doi: 10.1002/mrc.1752)
Diabatic free energy curves and coordination fluctuations for the aqueous Ag+∕Ag2+ redox couple: A biased Born-Oppenheimer molecular dynamics investigation
The Journal of Chemical Physics
(2006)
124
064507
(doi: 10.1063/1.2162881)
Enforced face-to-face stacking of organic semiconductor building blocks within hydrogen-bonded molecular cocrystals
J Am Chem Soc
(2006)
128
2806
(doi: 10.1021/ja057939a)
Theory of C2Hx species on Pt{110}(1 x 2): Structure, stability, and thermal chemistry
The journal of physical chemistry. B
(2006)
110
4147
(doi: 10.1021/jp055128n)
Harvesting chemical information from the internet using a distributed approach: ChemXtreme
Journal of Chemical Information and Modeling
(2006)
46
452
(doi: 10.1021/ci050329+)
Thermodynamically self-consistent liquid state theories for systems with bounded potentials.
The Journal of Chemical Physics
(2006)
124
64503
(doi: 10.1063/1.2167646)
Forward Flux Sampling-type schemes for simulating rare events: Efficiency analysis
(2006)
Translocation Boost Protein-Folding Efficiency of Double-Barreled Chaperonins
Biophysical Journal
(2006)
90
3375
(doi: 10.1529/biophysj.105.074898)
Probing the mechanism of amyloidogenesis through a tandem repeat of the PI3-SH3 domain suggests a generic model for protein aggregation and fibril formation.
J Mol Biol
(2006)
356
189
(doi: 10.1016/j.jmb.2005.11.034)
Reactive Uptake of N2O5 by Aerosol Particles Containing Mixtures of Humic Acid and Ammonium Sulfate
J Phys Chem A
(2006)
110
6986
(doi: 10.1021/jp0562678)
Enhancement of Charge-Transport Characteristics in Polymeric Films Using Polymer Brushes
Nano letters
(2006)
6
573
(doi: 10.1021/nl051803t)
Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect.
Phys Rev Lett
(2006)
96
057802
Characterization of the organic composition of aerosols from Rondônia, Brazil, during the LBA-SMOCC 2002 experiment and its representation through model compounds
Atmospheric Chemistry and Physics
(2006)
6
375
(doi: 10.5194/acp-6-375-2006)
Synthesis of Li1+ αV3O8 via a Gel Precursor: Part II, from Xerogel to the Anhydrous Material
Chemistry of Materials
(2006)
18
{629-636}
(doi: 10.1021/cm051508+)
Sulfur, normally a poison, strongly promotes chemoselective catalytic hydrogenation: Stereochemistry and reactivity of crotonaldehyde on clean and S-modified Cu(111)
Chemical communications (Cambridge, England)
(2006)
1283
(doi: 10.1039/b517154g)
Equilibrium free energies from fast-switching trajectories with large time steps - art. no. 044113
Journal of Chemical Physics
(2006)
124
044113
(doi: 10.1063/1.21652874)
Core domain interactions in full-length p53 in solution.
Proceedings of the National Academy of Sciences of the United States of America
(2006)
103
2115
(doi: 10.1073/pnas.0511130103)
