Competitive hydrolytic and elimination mechanisms in the urease catalyzed decomposition of urea
Article Abstract:
A high-level quantum chemical study of possible elimination reaction mechanisms associated with the catalytic decomposition of urea at the binuclear nickel active site cluster of urease is presented. Stable intermediates and transition state structures are identified along several possible reaction pathways.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Swelling of [L.sub.[alpha]]-phases by matching the refractive index of the water-glycerol mixed solvent and that of the bilayers in the block copolymer system of [(EO).sub.15]-[(PDMS).sub.15]-[(EO).sub.15]
Article Abstract:
The swelling of [L.sub.[alpha]]-phases from the block copolymer polyethylenoxide-b-polydimethylsiloxane-polyethyl-enoxide [(EO).sub.15]-[(PDMS).sub.15]-[(EO).sub.15] in water/glycerol mixture was observed to have low shear moduli due the high flexibility of the poly dimethylsiloxane block in the bilayers.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Theoretical calculations of refractive indices and optical effects in spectra of nitric acid and nitric acid monohydrate crystals
Article Abstract:
The theoretical infrared indices of two systems related to atmospheric research, nitric acid (NA) and nitric acid monohydrate (NAM) crystals, is computed using a methodology based on first-principles. Comparison of the experimental and calculated spectra shows good global agreement.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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