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- Currently displaying 19281 - 19300 of 29274 publications
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
064507
(doi: 10.1063/1.2162881)
Theory of C2Hx species on Pt{110}(1x2): structure, stability, and thermal chemistry.
J Phys Chem B
(2006)
110
4147
(doi: 10.1021/jp055128n)
Enforced face-to-face stacking of organic semiconductor building blocks within hydrogen-bonded molecular cocrystals
Journal of the American Chemical Society
(2006)
128
2806
(doi: 10.1021/ja057939a)
Thermodynamically self-consistent liquid state theories for systems with bounded potentials.
Journal of Chemical Physics
(2006)
124
64503
(doi: 10.1063/1.2167646)
Translocation boost protein-folding efficiency of double-barreled chaperonins
Biophys J
(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
Journal of Molecular Biology
(2006)
356
189
(doi: 10.1016/j.jmb.2005.11.034)
Harvesting chemical information from the Internet using a distributed approach: ChemXtreme
Journal of chemical information and modeling
(2006)
46
452
(doi: 10.1021/ci050329+)
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.
Journal of Physical Chemistry 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)
Synthesis of Li1+αV3O8 via a Gel Precursor: Part II, from Xerogel to the Anhydrous Material
Chemistry of Materials
(2006)
18
629
(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).
Chem Commun (Camb)
(2006)
1283
(doi: 10.1039/b517154g)
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)
Equilibrium free energies from fast-switching trajectories with large time steps.
The Journal of chemical physics
(2006)
124
044113
(doi: 10.1063/1.2162874)
Core domain interactions in full-length p53 in solution
Proc Natl Acad Sci U S A
(2006)
103
2115
(doi: 10.1073/pnas.0511130103)
Preparation of the neolignan natural product grossamide by a continuous-flow process
Synlett
(2006)
2006
0427
(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)
