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Chemicals, plastics and rubber industries

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A first principles analysis of the location and affinity of protons in the secondary structure of phosphotungstic acid

Article Abstract:

Nonlocal gradient corrected density functional theory was used to determine the optimal positions of the protons and their relative affinity in the secondary structure of phosphotungstic acid. A body centered cubic structure associated with the hexahydrate is used for this purpose.

Author: Neurock, Matthew, Davis, Robert J., Janik, Michael J.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Analysis, Molecular structure, Density functionals, Density functional theory

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Structure and dynamics of disodium hydrogen 12-tungstophosphoric acid

Article Abstract:

The structure and dynamics of the limiting hydrated form of disodium hydrogen 12- tungstophosphoric acid is investigated. The solid state (power 1)H, (power 23)Na, and (power 31)P nuclear magnetic resonance spectroscopy is used for this purpose.

Author: Herring, Andrew M., Dec, Steven F.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Nuclear magnetic resonance spectroscopy, Structural dynamics

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The effect of electrolyte concentration on the chemical force titration behavior of omega-functionalized SAMs: evidence for the formation of strong ionic hydrogen bonds

Article Abstract:

The titration behavior of carboxylic and phosphoric acid-functionalized tips depended on electrolyte concentration. Results indicate strong ionic hydrogen bonds that are 16 times stronger than neutral hydrogen bonds.

Author: Smith, Alastair D., Wallwork, Mark L., Jin, Zhang, Kirkham, Jennifer, Robinson, Colin, Marsh, Andrew, Wong, Michael
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
Observations, Hydrogen bonding, Carboxylic acids

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Subjects list: Research, Usage, Atomic properties, Phosphoric acid
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