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- Currently displaying 20101 - 20120 of 30188 publications
Deterministic and statistical methods for reconstructing multidimensional NMR spectra
Magnetic Resonance in Chemistry
(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 - art. no. 064507
Journal of Chemical Physics
(2006)
124
64507
(doi: 10.1063/1.2162881)
Theory of C2Hx species on Pt{110}(1x2): structure, stability, and thermal chemistry.
The journal of physical chemistry. B
(2006)
110
4147
(doi: 10.1021/jp055128n)
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)
Thermodynamically self-consistent liquid state theories for systems with bounded potentials - art. no. 064503
Journal of Chemical Physics
(2006)
124
64503
(doi: 10.1063/1.2167646)
Harvesting Chemical Information from the Internet Using a Distributed Approach: ChemXtreme
Journal of chemical information and modeling
(2006)
46
452
(doi: 10.1021/ci050329+)
Translocation boost protein-folding efficiency of double-barreled chaperonins
Biophys J
(2006)
90
3375
(doi: 10.1529/biophysj.105.074898)
Forward Flux Sampling-type schemes for simulating rare events: Efficiency analysis
(2006)
Probing the mechanism of amyloidogenesis through a tandem repeat of the PI3-SH3 domain suggests a generic model for protein aggregation and fibril formation.
Journal of Molecular Biology
(2006)
356
189
(doi: 10.1016/j.jmb.2005.11.034)
Enhancement of charge-transport characteristics in polymeric films using polymer brushes
Nano letters
(2006)
6
573
(doi: 10.1021/nl051803t)
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)
Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect
Physical review letters
(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)
Sulfur, normally a poison, strongly promotes chemoselective catalytic hydrogenation: stereochemistry and reactivity of crotonaldehyde on clean and S-modified Cu(111)
Chem Commun (Camb)
(2006)
1283
(doi: 10.1039/b517154g)
Synthesis of Li 1-αv 3O 8 via a gel precursor: Part II, from xerogel to the anhydrous material
Chemistry of Materials
(2006)
18
{629-636}
(doi: 10.1021/cm051508+)
Core domain interactions in full-length p53 in solution.
Proc Natl Acad Sci U S A
(2006)
103
2115
(doi: 10.1073/pnas.0511130103)
Equilibrium free energies from fast-switching trajectories with large time steps - art. no. 044113
Journal of Chemical Physics
(2006)
124
044113
(doi: 10.1063/1.2162874)
Solution structure of p53 core domain: Structural basis for its instability
Proceedings of the National Academy of Sciences
(2006)
103
2109
(doi: 10.1073/pnas.0510941103)
Preparation of the neolignan natural product grossamide by a continuous-flow process
Synlett
(2006)
2006
427
(doi: 10.1055/s-2006-926244)
