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- Currently displaying 20561 - 20580 of 30657 publications
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
64507
(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 C2H x Species on Pt{110}(1 × 2): Structure, Stability, and Thermal Chemistry
Journal of Physical Chemistry B
(2006)
110
4147
(doi: 10.1021/jp055128n)
Harvesting chemical information from the internet using a distributed approach: ChemXtreme
J Chem Inf Model
(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)
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)
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)
Super-Arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect
Phys Rev Lett
(2006)
96
057802
Reactive Uptake of N2O5 by Aerosol Particles Containing Mixtures of Humic Acid and Ammonium Sulfate
Journal of Physical Chemistry 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)
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
(2006)
1283
(doi: 10.1039/b517154g)
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)
Core domain interactions in full-length p53 in solution
Proc Natl Acad Sci U S A
(2006)
103
2115
(doi: 10.1073/pnas.0511130103)
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)
Insertion and assembly of membrane proteins via simulation.
Journal of the American Chemical Society
(2006)
128
2697
(doi: 10.1021/ja0569104)
Characterizing Bitterness: Identification of Key Structural Features and Development of a Classification Model
J Chem Inf Model
(2006)
46
569
(doi: 10.1021/ci0504418)
