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Chemicals, plastics and rubber industries

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Investigation of the catalytic mechanism of farnesyl pyrophosphate synthase by computer simulation

Article Abstract:

The reaction mechanism catalyzed by farnesyl pyrophosphate synthase (FPPS) was studied by quantum mechanics and molecular mechanics methods. It was shown that reaction occurs in one step through the formation of a carbocationic transition state and the subsequent transfer of a hydrogen atom from isopentenyl diphosphate to the pyrophosphate moiety of dimethylallyl diphosphate.

Author: Gutkind, J. Silvio, Crespo, Alejandro, Sanchez, Veronica Muriel, Turjanski, Adrian Gustavo
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Crystallography, Properties, Pyrophosphates, Structure

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The colors of polydiacetylenes: A commentary

Article Abstract:

The latest work on single isolated polydiacetylenes (PDA) chains has shown that the red chains can be quasi-perfect quantum wires. The transition is between two different chain conformations, where each might or might not be perfectly ordered and the disorder, when it occurs, is a side-product of the transformation.

Author: Schott, Michel
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Electric properties

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Bending dynamics of acetylene: New modes born in bifurcations of normal modes

Article Abstract:

Semiclassical techniques are used to analyze highly excited pure bending vibrational dynamics from spectra of C2H2. An analytic bifurcation approach is developed based on critical points of classical version of the quantum fitting Hamiltonian.

Author: Tyng, Vivian, Kellman, Michael E.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Spectra, Carbon compounds, Chemical properties

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Subjects list: Analysis, Quantum theory, Quantum mechanics, Acetylene
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