Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 2. Application to transphosphorylation thio effects in solution
Article Abstract:
The role of solvation on the stabilization of native and thio substituted transphosphorylation reactions is studied. The results underscore the need for a d-orbital semiempirical representation for phosphorus and sulfur for the study of experimentally observed thio effects in enzymatic and nonenzymatic phosphoryl transfer reactions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Magnetic effect during copper electrodeposition: Diffusion process considerations
Article Abstract:
The copper electrodeposition from a sulfuric acid solution under magnetic field influence is investigated. The results show that the apparent modifications of current-overpotential curves in the kinetic domain deal with modifications of a real electrode surface.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Determination of .OH, O2(super .-), and hydroperoxide yields in ozone reactions in aqueous solution
Article Abstract:
Examples of .OH and O2 (super .-) formation in ozone reactions are presented. The resulting products, (NO2)3CO- and (NO2)2C=O, rapidly hydrolyze (k>10 s-1) and most of the nitrite released is further oxidized by ozone to nitrate.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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